CAS No.: 1380672-71-8 — N-(2-chlorophenyl)-5-(methylsulfonyl)picolinamide (N-(2-氯苯基)-5-(甲磺酰基)-2-吡啶甲酰胺)

1. Primary Information

English name:	N-(2-chlorophenyl)-5-(methylsulfonyl)picolinamide
CAS No.:	1380672-71-8
Molecular formula:	C₁₃H₁₁ClN₂O₃S
Molecular weight:	310.76 g/mol
SMILES:	CS(=O)(=O)C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	98%	128	RT	in stock	-
Kehua Intelligence	1g	98%	344	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 32 0 0 0 0 0 0 0999 V2000 -2.9743 2.8141 0.0303 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 0.4680 0.0880 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 1.7993 0.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 -0.6270 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1029 -2.2054 -0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 0.0824 0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 0.6155 0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -0.0161 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 -1.3599 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 -0.7007 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -1.7171 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.9242 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 0.6271 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 -1.0231 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 0.0853 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7618 1.2768 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -1.1384 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 1.2446 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 -1.1706 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8252 0.0209 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -2.1423 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 -2.7660 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.9895 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4765 0.9272 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2916 -0.3377 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 1.3908 -2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 1.0029 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 -2.1073 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7361 2.1640 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6227 -2.1227 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9108 -0.0043 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(2-chlorophenyl)-5-methylsulfonylpyridine-2-carboxamide

4.2 InChI

InChI=1S/C13H11ClN2O3S/c1-20(18,19)9-6-7-12(15-8-9)13(17)16-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17)

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)