2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine

C13H18ClNO2S — CID 64638589

IUPAC2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3
InChIKeySVBKBXFRAHBXOE-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine

2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine (PubChem CID 64638589) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
PubChem CID64638589
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3
InChIKeySVBKBXFRAHBXOE-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-(4-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

Related Compounds

2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
2-(4-chlorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64638997
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
CID 114792023
N-methyl-2-naphthalen-2-ylsulfonylcyclopentan-1-amine
CID 64647317
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine (CID 64638589) is 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The InChIKey is SVBKBXFRAHBXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
2-(4-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-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64638589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).