6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide

C17H20ClN3O5S — CID 86725772

IUPAC6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C17H20ClN3O5S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-27(25,26)13-6-4-11(18)5-7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24)
InChIKeyHACBPAZOCNNTLZ-UHFFFAOYSA-N
MW413.88 g/mol
LogP1.36
Rot. Bonds6

About 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide

6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 86725772) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID86725772
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C17H20ClN3O5S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-27(25,26)13-6-4-11(18)5-7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24)
InChIKeyHACBPAZOCNNTLZ-UHFFFAOYSA-N
XLogP1.36
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 51.36
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-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (CID 86725772) is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=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-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is HACBPAZOCNNTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-27(25,26)13-6-4-11(18)5-7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24).
What are the key properties of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 413.88 g/mol, XLogP of 1.36, 6 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-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 86725772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).