4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide

C9H9ClFNO2S — CID 2440653

IUPAC4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C9H9ClFNO2S/c10-6-1-4-9(8(11)5-6)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyMAXZEKSGBQQDGS-UHFFFAOYSA-N
MW249.69 g/mol
LogP1.92
Rot. Bonds3

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

4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide (PubChem CID 2440653) has the molecular formula C9H9ClFNO2S and a molecular weight of 249.69 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
PubChem CID2440653
Molecular FormulaC9H9ClFNO2S
Molecular Weight249.69 g/mol
Exact Mass249.00
IUPAC Name4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C9H9ClFNO2S/c10-6-1-4-9(8(11)5-6)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKeyMAXZEKSGBQQDGS-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide (CID 2440653) is 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide?
The InChIKey is MAXZEKSGBQQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2S/c10-6-1-4-9(8(11)5-6)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2.
What are the key properties of 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide?
4-chloro-N-cyclopropyl-2-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 4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2440653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).