1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

C8H14ClNO2S — CID 63664366

IUPAC1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CC=CCC1
InChIInChI=1S/C8H14ClNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-2,8,10H,3-7H2
InChIKeyKKCKZESVJJVFRI-UHFFFAOYSA-N
MW223.72 g/mol
LogP1.46
Rot. Bonds4

About 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (PubChem CID 63664366) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
PubChem CID63664366
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CC=CCC1
InChIInChI=1S/C8H14ClNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-2,8,10H,3-7H2
InChIKeyKKCKZESVJJVFRI-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide 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 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (CID 63664366) is 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is O=S(=O)(CCl)NCC1CC=CCC1.
What is the InChIKey of 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The InChIKey is KKCKZESVJJVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-2,8,10H,3-7H2.
What are the key properties of 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide has a molecular weight of 223.72 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63664366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).