N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H9N3O3S — CID 43629212

IUPACN-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)15-19(17,18)11-5-6-12(16)14-8-11/h1-6,8,15H,(H,14,16)
InChIKeyHDWWPXNWBGNJKZ-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.05
Rot. Bonds3

About N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629212) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629212
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)15-19(17,18)11-5-6-12(16)14-8-11/h1-6,8,15H,(H,14,16)
InChIKeyHDWWPXNWBGNJKZ-UHFFFAOYSA-N
XLogP1.05
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409
N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629126
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(1-methyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54867673
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
6-oxo-N-pyridin-3-yl-1H-pyridine-3-sulfonamide
CID 43629054
4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220341
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629212) is N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is HDWWPXNWBGNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)15-19(17,18)11-5-6-12(16)14-8-11/h1-6,8,15H,(H,14,16).
What are the key properties of N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).