3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide

C8H16ClNO2S — CID 43654133

IUPAC3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCl)C1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(8-3-4-8)10-13(11,12)6-2-5-9/h7-8,10H,2-6H2,1H3
InChIKeyGNKXTRTXITYMDC-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.33
Rot. Bonds6

About 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide

3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide (PubChem CID 43654133) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide
PubChem CID43654133
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCl)C1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(8-3-4-8)10-13(11,12)6-2-5-9/h7-8,10H,2-6H2,1H3
InChIKeyGNKXTRTXITYMDC-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(1-cyclopropylethyl)propane-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-(1-cyclopropylethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide (CID 43654133) is 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide is CC(NS(=O)(=O)CCCCl)C1CC1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide?
The InChIKey is GNKXTRTXITYMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7(8-3-4-8)10-13(11,12)6-2-5-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide?
3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)propane-1-sulfonamide is sourced from PubChem (CID 43654133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).