2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride

C7H2Cl2FNO2S — CID 130996596

IUPAC2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(F)c(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C7H2Cl2FNO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H
InChIKeySXIQQXBEIRXLME-UHFFFAOYSA-N
MW254.07 g/mol
LogP2.28
Rot. Bonds1

About 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride

2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride (PubChem CID 130996596) has the molecular formula C7H2Cl2FNO2S and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
PubChem CID130996596
Molecular FormulaC7H2Cl2FNO2S
Molecular Weight254.07 g/mol
Exact Mass252.92
IUPAC Name2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(F)c(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C7H2Cl2FNO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H
InChIKeySXIQQXBEIRXLME-UHFFFAOYSA-N
XLogP2.28
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-cyano-6-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

2-chloro-5-cyano-3-fluorobenzenesulfonyl chloride
CID 130882205
4-chloro-3,5-difluorobenzonitrile
CID 19612372
3-chloro-5-cyano-2-sulfanylbenzenesulfonyl chloride
CID 131073149
4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405
3-cyano-5-fluorobenzenesulfonyl chloride
CID 55280684
2-(2-chloro-4-cyano-6-fluorophenyl)acetic acid
CID 119001594
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
4-cyano-2-iodo-6-methylbenzenesulfonyl chloride
CID 118816132
2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
CID 130663376
2,3-dichloro-6-cyanobenzenesulfonyl chloride
CID 130785388
3-chloro-5-ethyl-4-fluorobenzonitrile
CID 117279673
2-bromo-4-cyano-6-ethylbenzenesulfonyl chloride
CID 131404058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride (CID 130996596) is 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride is N#Cc1cc(F)c(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride?
The InChIKey is SXIQQXBEIRXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FNO2S/c8-5-1-4(3-11)2-6(10)7(5)14(9,12)13/h1-2H.
What are the key properties of 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride?
2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride has a molecular weight of 254.07 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 130996596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).