2-(4-methylsulfonylanilino)pyridine-3-sulfonamide

C12H13N3O4S2 — CID 53151392

IUPAC2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(Nc2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-12-11(21(13,18)19)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H2,13,18,19)
InChIKeyQWYWROXCVMYIPG-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.88
Rot. Bonds4

About 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide

2-(4-methylsulfonylanilino)pyridine-3-sulfonamide (PubChem CID 53151392) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
PubChem CID53151392
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(Nc2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-12-11(21(13,18)19)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H2,13,18,19)
InChIKeyQWYWROXCVMYIPG-UHFFFAOYSA-N
XLogP0.88
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387
2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
CID 53151377
2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
CID 115928497
N-[4-(2-chloroethyl)phenyl]-3-methylsulfonylpyridin-2-amine
CID 114599778
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
CID 24621363
6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
CID 82739933
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
CID 133332314

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide?
The IUPAC name of 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide (CID 53151392) is 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide?
The canonical SMILES for 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide is CS(=O)(=O)c1ccc(Nc2ncccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide?
The InChIKey is QWYWROXCVMYIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-20(16,17)10-6-4-9(5-7-10)15-12-11(21(13,18)19)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H2,13,18,19).
What are the key properties of 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide?
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide has a molecular weight of 327.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 53151392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).