6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide

C15H16ClN3O5S — CID 86725758

IUPAC6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
SMILESCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C15H16ClN3O5S/c1-17-15(22)13-14(21)12(20)7-10(19(13)2)8-18-25(23,24)11-5-3-9(16)4-6-11/h3-7,18,21H,8H2,1-2H3,(H,17,22)
InChIKeyNVSKUKGLTWMZIT-UHFFFAOYSA-N
MW385.83 g/mol
LogP0.58
Rot. Bonds5

About 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide

6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 86725758) has the molecular formula C15H16ClN3O5S and a molecular weight of 385.83 g/mol. Its IUPAC name is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID86725758
Molecular FormulaC15H16ClN3O5S
Molecular Weight385.83 g/mol
Exact Mass385.05
IUPAC Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
SMILESCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C15H16ClN3O5S/c1-17-15(22)13-14(21)12(20)7-10(19(13)2)8-18-25(23,24)11-5-3-9(16)4-6-11/h3-7,18,21H,8H2,1-2H3,(H,17,22)
InChIKeyNVSKUKGLTWMZIT-UHFFFAOYSA-N
XLogP0.58
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide (CID 86725758) is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide is CNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C.
What is the InChIKey of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is NVSKUKGLTWMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5S/c1-17-15(22)13-14(21)12(20)7-10(19(13)2)8-18-25(23,24)11-5-3-9(16)4-6-11/h3-7,18,21H,8H2,1-2H3,(H,17,22).
What are the key properties of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 86725758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).