N-(2-chloroethyl)-N-cyclohexylethanesulfonamide

C10H20ClNO2S — CID 63396943

IUPACN-(2-chloroethyl)-N-cyclohexylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C10H20ClNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyBSPJVCVOVBBUEI-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclohexylethanesulfonamide

N-(2-chloroethyl)-N-cyclohexylethanesulfonamide (PubChem CID 63396943) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylethanesulfonamide
PubChem CID63396943
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloroethyl)-N-cyclohexylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C10H20ClNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyBSPJVCVOVBBUEI-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
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-cyclohexylethanesulfonamide 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 N-(2-chloroethyl)-N-cyclohexylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylethanesulfonamide (CID 63396943) is N-(2-chloroethyl)-N-cyclohexylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylethanesulfonamide is CCS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylethanesulfonamide?
The InChIKey is BSPJVCVOVBBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexylethanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexylethanesulfonamide is sourced from PubChem (CID 63396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).