CAS No.: 587850-67-7 — 4-amino-N-(2-phenylethyl)benzenesulfonamide (4-Amino-N-phenethylbenzenesulfonamide )

1. Primary Information

English name:	4-amino-N-(2-phenylethyl)benzenesulfonamide
CAS No.:	587850-67-7
Molecular formula:	C₁₄H₁₆N₂O₂S
Molecular weight:	276.36 g/mol
SMILES:	C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)N
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	99%	217	RT	in stock	-
Kehua Intelligence	10mg	99%	320	RT	in stock	-
Kehua Intelligence	25mg	99%	640	RT	in stock	-
Kehua Intelligence	50mg	99%	1120	RT	in stock	-
Kehua Intelligence	100mg	99%	2176	RT	in stock	-
Kehua Intelligence	200mg	99%	3968	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 -1.6154 2.0972 -0.1937 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 2.4648 -1.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 2.6528 1.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 2.3650 -0.4128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 -3.8208 0.3389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 2.5901 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 2.0974 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 0.6473 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 0.3379 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -0.2321 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -0.4371 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -0.2988 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 0.2374 -1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -1.6204 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 -1.8254 -1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4171 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -1.6548 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 -1.1186 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -2.0647 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5262 2.0631 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 3.6623 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6858 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9807 2.3060 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 2.7703 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 0.3689 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 0.0052 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 0.0074 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 0.9628 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5276 -2.0698 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 -2.4355 -1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -2.3918 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2743 -1.4379 -2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6007 -3.1206 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -4.3986 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 -4.2510 1.2501 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 4 1 0 0 0 0 1 9 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 15 2 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-amino-N-(2-phenylethyl)benzenesulfonamide

4.2 InChI

InChI=1S/C14H16N2O2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11,15H2

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)