N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H12N2O4S — CID 43629409

IUPACN-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C13H12N2O4S/c1-9(16)10-2-4-11(5-3-10)15-20(18,19)12-6-7-13(17)14-8-12/h2-8,15H,1H3,(H,14,17)
InChIKeyFOPWJGMIIBFJQN-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.38
Rot. Bonds4

About N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629409) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629409
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C13H12N2O4S/c1-9(16)10-2-4-11(5-3-10)15-20(18,19)12-6-7-13(17)14-8-12/h2-8,15H,1H3,(H,14,17)
InChIKeyFOPWJGMIIBFJQN-UHFFFAOYSA-N
XLogP1.38
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629212
N-(1-methyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54867673
N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629126
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724957
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
CID 2465106
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629409) is N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FOPWJGMIIBFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9(16)10-2-4-11(5-3-10)15-20(18,19)12-6-7-13(17)14-8-12/h2-8,15H,1H3,(H,14,17).
What are the key properties of N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).