4-chloro-N-cyclopropylbenzenesulfonamide

C9H10ClNO2S — CID 847957

IUPAC4-chloro-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2
InChIKeyBAOROYZLWUOHLF-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.78
Rot. Bonds3

About 4-chloro-N-cyclopropylbenzenesulfonamide

4-chloro-N-cyclopropylbenzenesulfonamide (PubChem CID 847957) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-chloro-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropylbenzenesulfonamide
PubChem CID847957
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name4-chloro-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2
InChIKeyBAOROYZLWUOHLF-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-cyclopropylbenzenesulfonamide 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-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropylbenzenesulfonamide (CID 847957) is 4-chloro-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-cyclopropylbenzenesulfonamide?
The InChIKey is BAOROYZLWUOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2.
What are the key properties of 4-chloro-N-cyclopropylbenzenesulfonamide?
4-chloro-N-cyclopropylbenzenesulfonamide has a molecular weight of 231.70 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 847957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).