1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C14H14N2O5S — CID 170503114

IUPAC1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H14N2O5S/c1-9-7-8-16(13(17)12(9)14(18)19)11-5-3-10(4-6-11)15-22(2,20)21/h3-8,15H,1-2H3,(H,18,19)
InChIKeyIOVCOUBLAVUOIN-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.22
Rot. Bonds4

About 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170503114) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170503114
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H14N2O5S/c1-9-7-8-16(13(17)12(9)14(18)19)11-5-3-10(4-6-11)15-22(2,20)21/h3-8,15H,1-2H3,(H,18,19)
InChIKeyIOVCOUBLAVUOIN-UHFFFAOYSA-N
XLogP1.22
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170505245
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879
1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170503166
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172663121
1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690935
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637672
4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
CID 170502608
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172670114

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170503114) is 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2ccc(NS(C)(=O)=O)cc2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is IOVCOUBLAVUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-9-7-8-16(13(17)12(9)14(18)19)11-5-3-10(4-6-11)15-22(2,20)21/h3-8,15H,1-2H3,(H,18,19).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170503114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).