4-cyano-3-fluorobenzenesulfonyl chloride

C7H3ClFNO2S — CID 55280880

IUPAC4-cyano-3-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C7H3ClFNO2S/c8-13(11,12)6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyBQOLEECFBQEGJC-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.62
Rot. Bonds1

About 4-cyano-3-fluorobenzenesulfonyl chloride

4-cyano-3-fluorobenzenesulfonyl chloride (PubChem CID 55280880) has the molecular formula C7H3ClFNO2S and a molecular weight of 219.62 g/mol. Its IUPAC name is 4-cyano-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-3-fluorobenzenesulfonyl chloride
PubChem CID55280880
Molecular FormulaC7H3ClFNO2S
Molecular Weight219.62 g/mol
Exact Mass218.96
IUPAC Name4-cyano-3-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C7H3ClFNO2S/c8-13(11,12)6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyBQOLEECFBQEGJC-UHFFFAOYSA-N
XLogP1.62
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyano-3-fluorobenzenesulfonyl chloride 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-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
4-(aminomethyl)-3-cyano-5-fluorobenzenesulfonyl chloride
CID 131477144
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 115367088
3-cyano-4-fluoro-5-nitrobenzenesulfonyl chloride
CID 131322149
methyl 4-chlorosulfonyl-2-cyanobenzoate
CID 86630783
4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride
CID 82918014
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
sodium 4-cyano-3-fluorobenzenesulfinate
CID 165450057
4-cyano-3-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 131740876
3-fluoro-4-methylsulfinylbenzenesulfonyl chloride
CID 116684865

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-cyano-3-fluorobenzenesulfonyl chloride (CID 55280880) is 4-cyano-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-cyano-3-fluorobenzenesulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-cyano-3-fluorobenzenesulfonyl chloride?
The InChIKey is BQOLEECFBQEGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2S/c8-13(11,12)6-2-1-5(4-10)7(9)3-6/h1-3H.
What are the key properties of 4-cyano-3-fluorobenzenesulfonyl chloride?
4-cyano-3-fluorobenzenesulfonyl chloride has a molecular weight of 219.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 55280880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).