4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

C21H25ClN2O3S — CID 5069456

IUPAC4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O3S/c22-20-9-5-4-6-18(20)15-23-21(25)17-12-10-16(11-13-17)14-24-28(26,27)19-7-2-1-3-8-19/h1-9,16-17,24H,10-15H2,(H,23,25)
InChIKeyNVXDCHCMPFTDSD-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.74
Rot. Bonds7

About 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 5069456) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID5069456
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O3S/c22-20-9-5-4-6-18(20)15-23-21(25)17-12-10-16(11-13-17)14-24-28(26,27)19-7-2-1-3-8-19/h1-9,16-17,24H,10-15H2,(H,23,25)
InChIKeyNVXDCHCMPFTDSD-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide 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-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide (CID 5069456) is 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NVXDCHCMPFTDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c22-20-9-5-4-6-18(20)15-23-21(25)17-12-10-16(11-13-17)14-24-28(26,27)19-7-2-1-3-8-19/h1-9,16-17,24H,10-15H2,(H,23,25).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5069456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).