3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C13H13ClN2O3S — CID 47389543

IUPAC3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-9-3-5-11(7-12(9)14)20(18,19)15-10-4-6-13(17)16(2)8-10/h3-8,15H,1-2H3
InChIKeyQNSOSNKJFKKOLH-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.15
Rot. Bonds3

About 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 47389543) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID47389543
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-9-3-5-11(7-12(9)14)20(18,19)15-10-4-6-13(17)16(2)8-10/h3-8,15H,1-2H3
InChIKeyQNSOSNKJFKKOLH-UHFFFAOYSA-N
XLogP2.15
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389423
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
N-(1-methyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54867673
2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 103171310
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 114379246
3-chloro-4-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide
CID 40889462
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 47389543) is 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is QNSOSNKJFKKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9-3-5-11(7-12(9)14)20(18,19)15-10-4-6-13(17)16(2)8-10/h3-8,15H,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 47389543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).