CAS No.: 122-16-7 — Sulfanitran (-)

1. Primary Information

English name:	Sulfanitran
CAS No.:	122-16-7
Molecular formula:	C₁₄H₁₃N₃O₅S
Molecular weight:	335.34 g/mol
SMILES:	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Structural class:
Other identifiers:	4'-((4-nitrophenyl)sulfamoyl)acetanilide N-acetyl-4-nitrophenylsulfanilamide sulfanitran

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥99%	384	2-8℃	in stock	-
Kehua Intelligence	1mg	CP:≥98%;IE:≥98%atomD	1568	2-8℃	in stock	-
Kehua Intelligence	5mg	CP:≥98%;IE:≥98%atomD	4000	2-8℃	in stock	-
Kehua Intelligence	25mg	98%	160	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	320	2-8℃	in stock	-
Kehua Intelligence	500mg	98%	720	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 37 0 0 0 0 0 0 0999 V2000 -0.2868 -3.1276 -0.3713 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 -4.3738 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -3.1033 -1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 2.6386 -1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 3.0802 -1.1426 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3328 3.5011 0.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 -2.5861 0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 1.0501 0.4743 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 2.7186 -0.0241 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9271 -1.8980 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -1.2329 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 -0.7778 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 -2.0356 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 0.0671 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 0.2047 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -1.0531 1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -0.8182 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.3548 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 1.3823 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9798 0.4943 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 0.9577 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0302 2.2340 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 3.0325 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 -2.9245 1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.6526 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 -2.8954 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 1.0413 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -1.1723 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 -1.4968 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.6760 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3628 0.7885 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 1.6217 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 0.8766 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 3.3252 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 3.9333 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 2.4324 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 33 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 2 5 -1 9 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide

4.2 InChI

InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)