2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide

C9H9ClFNO2S — CID 60728526

IUPAC2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO2S/c10-8-5-6(11)1-4-9(8)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyCXGOLWNNCDQUOJ-UHFFFAOYSA-N
MW249.69 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide

2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 60728526) has the molecular formula C9H9ClFNO2S and a molecular weight of 249.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID60728526
Molecular FormulaC9H9ClFNO2S
Molecular Weight249.69 g/mol
Exact Mass249.00
IUPAC Name2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO2S/c10-8-5-6(11)1-4-9(8)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyCXGOLWNNCDQUOJ-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide 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-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 60728526) is 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is CXGOLWNNCDQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2S/c10-8-5-6(11)1-4-9(8)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2.
What are the key properties of 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide?
2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide has a molecular weight of 249.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60728526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).