N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide

C9H18ClNO2S — CID 63396860

IUPACN-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C9H18ClNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyIBSNRWLCACGQOL-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.82
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide

N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide (PubChem CID 63396860) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
PubChem CID63396860
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C9H18ClNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyIBSNRWLCACGQOL-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide 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

N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
CID 63396430
N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
CID 102873648
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-cyclopentyl-N-(2-methylpropyl)methanesulfonamide
CID 58199549
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
N-(2-chloroethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63396431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide (CID 63396860) is N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide?
The InChIKey is IBSNRWLCACGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 63396860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).