4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide

C18H20N2O6S2 — CID 71013104

IUPAC4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(C2CCCC2)cc1O
InChIInChI=1S/C18H20N2O6S2/c19-27(23,24)16-7-3-4-8-17(16)28(25,26)20-18(22)14-10-9-13(11-15(14)21)12-5-1-2-6-12/h3-4,7-12,21H,1-2,5-6H2,(H,20,22)(H2,19,23,24)
InChIKeyMBDFRJAESUOOAC-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.82
Rot. Bonds5

About 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide

4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide (PubChem CID 71013104) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
PubChem CID71013104
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Name4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(C2CCCC2)cc1O
InChIInChI=1S/C18H20N2O6S2/c19-27(23,24)16-7-3-4-8-17(16)28(25,26)20-18(22)14-10-9-13(11-15(14)21)12-5-1-2-6-12/h3-4,7-12,21H,1-2,5-6H2,(H,20,22)(H2,19,23,24)
InChIKeyMBDFRJAESUOOAC-UHFFFAOYSA-N
XLogP1.82
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The IUPAC name of 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide (CID 71013104) is 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide is NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(C2CCCC2)cc1O.
What is the InChIKey of 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The InChIKey is MBDFRJAESUOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c19-27(23,24)16-7-3-4-8-17(16)28(25,26)20-18(22)14-10-9-13(11-15(14)21)12-5-1-2-6-12/h3-4,7-12,21H,1-2,5-6H2,(H,20,22)(H2,19,23,24).
What are the key properties of 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide?
4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide has a molecular weight of 424.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide is sourced from PubChem (CID 71013104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).