3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide

C11H22ClNO2S — CID 79585723

IUPAC3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-3-13(11-6-4-5-7-11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3
InChIKeyCXZKYFMNNOZNJF-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.46
Rot. Bonds6

About 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide

3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide (PubChem CID 79585723) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide
PubChem CID79585723
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-3-13(11-6-4-5-7-11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3
InChIKeyCXZKYFMNNOZNJF-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide 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 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide (CID 79585723) is 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide is CCN(C1CCCC1)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide?
The InChIKey is CXZKYFMNNOZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-3-13(11-6-4-5-7-11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide?
3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-ethyl-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).