4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

C12H12N2O4S — CID 110724957

IUPAC4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-10-3-5-11(6-4-10)19(16,17)14-9-2-7-12(15)13-8-9/h2-8,14H,1H3,(H,13,15)
InChIKeyMIGPJZBHAWZCMD-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.18
Rot. Bonds4

About 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide

4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (PubChem CID 110724957) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
PubChem CID110724957
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-10-3-5-11(6-4-10)19(16,17)14-9-2-7-12(15)13-8-9/h2-8,14H,1H3,(H,13,15)
InChIKeyMIGPJZBHAWZCMD-UHFFFAOYSA-N
XLogP1.18
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyanilino)-1H-pyridin-2-one
CID 175774700
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-methoxy-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 62873560
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide (CID 110724957) is 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
The InChIKey is MIGPJZBHAWZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-18-10-3-5-11(6-4-10)19(16,17)14-9-2-7-12(15)13-8-9/h2-8,14H,1H3,(H,13,15).
What are the key properties of 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide?
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110724957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).