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

C17H20ClN3O4S — CID 144664310

IUPAC6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)c2cccc(Cl)c2)n1C
InChIInChI=1S/C17H20ClN3O4S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-26(25)13-6-4-5-11(18)7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24)
InChIKeyQEMPRLCJPFZSKA-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.69
Rot. Bonds6

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

6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 144664310) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID144664310
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)c2cccc(Cl)c2)n1C
InChIInChI=1S/C17H20ClN3O4S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-26(25)13-6-4-5-11(18)7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24)
InChIKeyQEMPRLCJPFZSKA-UHFFFAOYSA-N
XLogP1.69
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (CID 144664310) is 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[[(3-chlorophenyl)sulfinylamino]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)c2cccc(Cl)c2)n1C.
What is the InChIKey of 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is QEMPRLCJPFZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-10(2)20-17(24)15-16(23)14(22)8-12(21(15)3)9-19-26(25)13-6-4-5-11(18)7-13/h4-8,10,19,23H,9H2,1-3H3,(H,20,24).
What are the key properties of 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 397.88 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chlorophenyl)sulfinylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 144664310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).