4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide

C11H12Cl3NO2S — CID 2805890

IUPAC4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CC1(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl3NO2S/c12-9-1-3-10(4-2-9)18(16,17)15-6-5-8-7-11(8,13)14/h1-4,8,15H,5-7H2
InChIKeyZJWXRQYJHLDWIV-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.20
Rot. Bonds5

About 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide

4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide (PubChem CID 2805890) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
PubChem CID2805890
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CC1(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl3NO2S/c12-9-1-3-10(4-2-9)18(16,17)15-6-5-8-7-11(8,13)14/h1-4,8,15H,5-7H2
InChIKeyZJWXRQYJHLDWIV-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide 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 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide (CID 2805890) is 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1CC1(Cl)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The InChIKey is ZJWXRQYJHLDWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-9-1-3-10(4-2-9)18(16,17)15-6-5-8-7-11(8,13)14/h1-4,8,15H,5-7H2.
What are the key properties of 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide has a molecular weight of 328.65 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2805890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).