2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide

C9H18ClNO3S — CID 107651195

IUPAC2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)N(CCO)C1CCCC1
InChIInChI=1S/C9H18ClNO3S/c10-5-8-15(13,14)11(6-7-12)9-3-1-2-4-9/h9,12H,1-8H2
InChIKeyWPOMXRICIIFDTI-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.79
Rot. Bonds6

About 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide

2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 107651195) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID107651195
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)N(CCO)C1CCCC1
InChIInChI=1S/C9H18ClNO3S/c10-5-8-15(13,14)11(6-7-12)9-3-1-2-4-9/h9,12H,1-8H2
InChIKeyWPOMXRICIIFDTI-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide 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-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide (CID 107651195) is 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide is O=S(=O)(CCCl)N(CCO)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is WPOMXRICIIFDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c10-5-8-15(13,14)11(6-7-12)9-3-1-2-4-9/h9,12H,1-8H2.
What are the key properties of 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide?
2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 107651195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).