2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine

C13H18ClNO2S — CID 64638401

IUPAC2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-15-11-7-3-5-9-13(11)18(16,17)12-8-4-2-6-10(12)14/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeyATBZKFXUAJDIBD-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine

2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine (PubChem CID 64638401) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
PubChem CID64638401
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-15-11-7-3-5-9-13(11)18(16,17)12-8-4-2-6-10(12)14/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeyATBZKFXUAJDIBD-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine 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 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine (CID 64638401) is 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The InChIKey is ATBZKFXUAJDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-15-11-7-3-5-9-13(11)18(16,17)12-8-4-2-6-10(12)14/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64638401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).