3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride

C12H7ClF2O2S — CID 46312302

IUPAC3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H7ClF2O2S/c13-18(16,17)10-4-5-11(12(15)7-10)8-2-1-3-9(14)6-8/h1-7H
InChIKeyTWQGJXWNWYJORI-UHFFFAOYSA-N
MW288.70 g/mol
LogP3.56
Rot. Bonds2

About 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride

3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride (PubChem CID 46312302) has the molecular formula C12H7ClF2O2S and a molecular weight of 288.70 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
PubChem CID46312302
Molecular FormulaC12H7ClF2O2S
Molecular Weight288.70 g/mol
Exact Mass287.98
IUPAC Name3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H7ClF2O2S/c13-18(16,17)10-4-5-11(12(15)7-10)8-2-1-3-9(14)6-8/h1-7H
InChIKeyTWQGJXWNWYJORI-UHFFFAOYSA-N
XLogP3.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
CID 82308389
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
3-(2,4-difluorophenyl)phenol
CID 11356203
3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride
CID 82308576
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
3-(4-chlorophenyl)benzenesulfonyl chloride
CID 3502760
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride (CID 46312302) is 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2cccc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride?
The InChIKey is TWQGJXWNWYJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O2S/c13-18(16,17)10-4-5-11(12(15)7-10)8-2-1-3-9(14)6-8/h1-7H.
What are the key properties of 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride?
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride has a molecular weight of 288.70 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride is sourced from PubChem (CID 46312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).