3-chloro-4-fluorobenzenesulfonamide

C6H5ClFNO2S — CID 7509883

IUPAC3-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFNO2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,(H2,9,10,11)
InChIKeyKKVQDRHEXRGIMI-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.13
Rot. Bonds1

About 3-chloro-4-fluorobenzenesulfonamide

3-chloro-4-fluorobenzenesulfonamide (PubChem CID 7509883) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is 3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluorobenzenesulfonamide
PubChem CID7509883
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name3-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFNO2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,(H2,9,10,11)
InChIKeyKKVQDRHEXRGIMI-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

Analyze 3-chloro-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

Related Compounds

4-Chlorobenzenesulfonamide
CID 66824
2-Chlorobenzenesulfonamide
CID 81410
4-Fluorobenzenesulfonamide
CID 120231
Benzenesulfonyl fluoride, p-chloro-
CID 94992
3-Fluorobenzenesulfonamide
CID 150924
2-Fluorobenzenesulfonamide
CID 193663
3-Chlorobenzenesulfonamide
CID 519377
3,4-Dichlorobenzenesulfonamide
CID 233097
3,5-Dichlorobenzenesulfonamide
CID 705607
4-chloro-N-hydroxybenzene-1-sulfonamide
CID 352863
4-Chlorobenzenesulfonic hydrazide
CID 226813
2,3-Dichlorobenzenesulfonamide
CID 8317947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-4-fluorobenzenesulfonamide (CID 7509883) is 3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is KKVQDRHEXRGIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,(H2,9,10,11).
What are the key properties of 3-chloro-4-fluorobenzenesulfonamide?
3-chloro-4-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 3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 7509883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).