4-chloro-2-fluorobenzenesulfonamide

C6H5ClFNO2S — CID 4782281

IUPAC4-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C6H5ClFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyMASZNIUZKMPEKE-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.13
Rot. Bonds1

About 4-chloro-2-fluorobenzenesulfonamide

4-chloro-2-fluorobenzenesulfonamide (PubChem CID 4782281) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluorobenzenesulfonamide
PubChem CID4782281
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name4-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C6H5ClFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyMASZNIUZKMPEKE-UHFFFAOYSA-N
XLogP1.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-2-fluorobenzenesulfonamide (CID 4782281) is 4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is MASZNIUZKMPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 4-chloro-2-fluorobenzenesulfonamide?
4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 209.63 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 4782281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).