4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

C15H22ClN3O4S — CID 12698194

IUPAC4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23)
InChIKeyMDLHQNNKYAWRKZ-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.45
Rot. Bonds6

About 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (PubChem CID 12698194) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
PubChem CID12698194
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23)
InChIKeyMDLHQNNKYAWRKZ-UHFFFAOYSA-N
XLogP1.45
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide 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-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (CID 12698194) is 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The InChIKey is MDLHQNNKYAWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23).
What are the key properties of 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide has a molecular weight of 375.88 g/mol, XLogP of 1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 12698194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).