6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide

C17H21N3O5S — CID 90270960

IUPAC6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C17H21N3O5S/c1-11(2)19-17(23)15-16(22)14(21)9-12(20(15)3)10-18-26(24,25)13-7-5-4-6-8-13/h4-9,11,18,22H,10H2,1-3H3,(H,19,23)
InChIKeyIUAUAUVHPXRJQP-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.71
Rot. Bonds6

About 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide

6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 90270960) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID90270960
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C17H21N3O5S/c1-11(2)19-17(23)15-16(22)14(21)9-12(20(15)3)10-18-26(24,25)13-7-5-4-6-8-13/h4-9,11,18,22H,10H2,1-3H3,(H,19,23)
InChIKeyIUAUAUVHPXRJQP-UHFFFAOYSA-N
XLogP0.71
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide (CID 90270960) is 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(benzenesulfonamidomethyl)-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)c2ccccc2)n1C.
What is the InChIKey of 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is IUAUAUVHPXRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11(2)19-17(23)15-16(22)14(21)9-12(20(15)3)10-18-26(24,25)13-7-5-4-6-8-13/h4-9,11,18,22H,10H2,1-3H3,(H,19,23).
What are the key properties of 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamidomethyl)-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 90270960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).