6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide

C15H17N3O5S — CID 90270927

IUPAC6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
SMILESCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C15H17N3O5S/c1-16-15(21)13-14(20)12(19)8-10(18(13)2)9-17-24(22,23)11-6-4-3-5-7-11/h3-8,17,20H,9H2,1-2H3,(H,16,21)
InChIKeyGCUWAFICKVLQKU-UHFFFAOYSA-N
MW351.38 g/mol
LogP-0.07
Rot. Bonds5

About 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide

6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 90270927) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID90270927
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide
SMILESCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C15H17N3O5S/c1-16-15(21)13-14(20)12(19)8-10(18(13)2)9-17-24(22,23)11-6-4-3-5-7-11/h3-8,17,20H,9H2,1-2H3,(H,16,21)
InChIKeyGCUWAFICKVLQKU-UHFFFAOYSA-N
XLogP-0.07
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 5-0.07
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-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide (CID 90270927) is 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide is CNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2ccccc2)n1C.
What is the InChIKey of 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is GCUWAFICKVLQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-16-15(21)13-14(20)12(19)8-10(18(13)2)9-17-24(22,23)11-6-4-3-5-7-11/h3-8,17,20H,9H2,1-2H3,(H,16,21).
What are the key properties of 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide?
6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamidomethyl)-3-hydroxy-N,1-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 90270927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).