6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid

C14H13ClN2O6S — CID 86725729

IUPAC6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCn1c(CNS(=O)(=O)c2cccc(Cl)c2)cc(=O)c(O)c1C(=O)O
InChIInChI=1S/C14H13ClN2O6S/c1-17-9(6-11(18)13(19)12(17)14(20)21)7-16-24(22,23)10-4-2-3-8(15)5-10/h2-6,16,19H,7H2,1H3,(H,20,21)
InChIKeyUPWCZSUIRMTZMG-UHFFFAOYSA-N
MW372.79 g/mol
LogP0.92
Rot. Bonds5

About 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid

6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid (PubChem CID 86725729) has the molecular formula C14H13ClN2O6S and a molecular weight of 372.79 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid
PubChem CID86725729
Molecular FormulaC14H13ClN2O6S
Molecular Weight372.79 g/mol
Exact Mass372.02
IUPAC Name6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCn1c(CNS(=O)(=O)c2cccc(Cl)c2)cc(=O)c(O)c1C(=O)O
InChIInChI=1S/C14H13ClN2O6S/c1-17-9(6-11(18)13(19)12(17)14(20)21)7-16-24(22,23)10-4-2-3-8(15)5-10/h2-6,16,19H,7H2,1H3,(H,20,21)
InChIKeyUPWCZSUIRMTZMG-UHFFFAOYSA-N
XLogP0.92
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid (CID 86725729) is 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid is Cn1c(CNS(=O)(=O)c2cccc(Cl)c2)cc(=O)c(O)c1C(=O)O.
What is the InChIKey of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The InChIKey is UPWCZSUIRMTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O6S/c1-17-9(6-11(18)13(19)12(17)14(20)21)7-16-24(22,23)10-4-2-3-8(15)5-10/h2-6,16,19H,7H2,1H3,(H,20,21).
What are the key properties of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid?
6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid has a molecular weight of 372.79 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 86725729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).