2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide

C12H12ClN3O2S — CID 53151390

IUPAC2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
SMILESCc1ccc(Nc2ncccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-4-5-9(7-10(8)13)16-12-11(19(14,17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyGGMXXHHREHBPAV-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide

2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide (PubChem CID 53151390) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
PubChem CID53151390
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
SMILESCc1ccc(Nc2ncccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-4-5-9(7-10(8)13)16-12-11(19(14,17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyGGMXXHHREHBPAV-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
CID 53151392
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
CID 53151377
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
3-amino-N-(3-chloro-4-methylphenyl)pyridine-2-sulfonamide
CID 103303099
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300777
2-(3-chloro-4-methylanilino)ethanesulfonamide
CID 114384702
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide (CID 53151390) is 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide is Cc1ccc(Nc2ncccc2S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide?
The InChIKey is GGMXXHHREHBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-4-5-9(7-10(8)13)16-12-11(19(14,17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide?
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 53151390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).