3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid

C13H9N3O4S — CID 62353939

IUPAC3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C13H9N3O4S/c14-7-9-4-5-12(15-8-9)16-21(19,20)11-3-1-2-10(6-11)13(17)18/h1-6,8H,(H,15,16)(H,17,18)
InChIKeyCRXGLWVYFDGESY-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.45
Rot. Bonds4

About 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid

3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 62353939) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID62353939
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC Name3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C13H9N3O4S/c14-7-9-4-5-12(15-8-9)16-21(19,20)11-3-1-2-10(6-11)13(17)18/h1-6,8H,(H,15,16)(H,17,18)
InChIKeyCRXGLWVYFDGESY-UHFFFAOYSA-N
XLogP1.45
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874149
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
3-[2-[(5-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 63795126
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
3-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
CID 56662701
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid (CID 62353939) is 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid is N#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is CRXGLWVYFDGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c14-7-9-4-5-12(15-8-9)16-21(19,20)11-3-1-2-10(6-11)13(17)18/h1-6,8H,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid?
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 62353939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).