4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

C8H2ClF4NO2S — CID 118839285

IUPAC4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C8H2ClF4NO2S/c9-17(15,16)5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H
InChIKeySOEFEHGUAVHWAR-UHFFFAOYSA-N
MW287.62 g/mol
LogP2.64
Rot. Bonds1

About 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 118839285) has the molecular formula C8H2ClF4NO2S and a molecular weight of 287.62 g/mol. Its IUPAC name is 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID118839285
Molecular FormulaC8H2ClF4NO2S
Molecular Weight287.62 g/mol
Exact Mass286.94
IUPAC Name4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C8H2ClF4NO2S/c9-17(15,16)5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H
InChIKeySOEFEHGUAVHWAR-UHFFFAOYSA-N
XLogP2.64
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-2-fluoro-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118816589
3-bromo-4-cyano-2-(trifluoromethyl)benzenesulfonyl chloride
CID 131414611
2-bromo-4-cyano-3-(trifluoromethyl)benzenesulfonyl chloride
CID 131414583
4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118844619
4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile
CID 131354783
4-(aminomethyl)-3-cyano-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118806215
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
2,3-difluoro-4-methylsulfonylbenzonitrile
CID 117308866
4-cyano-2-methyl-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 131373017
4-cyano-2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 118849874
2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 169448398
2-(aminomethyl)-4-cyano-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 134618543

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride (CID 118839285) is 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1F.
What is the InChIKey of 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is SOEFEHGUAVHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF4NO2S/c9-17(15,16)5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H.
What are the key properties of 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 287.62 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 118839285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).