[4-(trifluoromethyl)phenyl]methanesulfonyl chloride

C8H6ClF3O2S — CID 594332

IUPAC[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKeyKKBNUPMMAGEQAT-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.77
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]methanesulfonyl chloride

[4-(trifluoromethyl)phenyl]methanesulfonyl chloride (PubChem CID 594332) has the molecular formula C8H6ClF3O2S and a molecular weight of 258.65 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
PubChem CID594332
Molecular FormulaC8H6ClF3O2S
Molecular Weight258.65 g/mol
Exact Mass257.97
IUPAC Name[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKeyKKBNUPMMAGEQAT-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
Phenylmethanesulfonyl chloride
CID 74740
Phenyldifluoromethanesulfonamide
CID 12195854
Potassium Xylenesulfonate
CID 23689308
4-Methylphenyl-difluoromethanesulfonamide
CID 44405177
Sodium benzylsulfonate
CID 23668604
2-(4-Methylphenyl)ethene-1-sulfonyl fluoride
CID 121553281
Ethenesulfonyl fluoride, 2-phenyl-
CID 5357730
(E)-2-phenylethene-1-sulfonyl chloride
CID 5369377
2-Trifluoromethylbenzenesulphonyl chloride
CID 136616
Fluoro(phenyl)methanesulfonamide
CID 11355950
1-[4''-(Trifluoromethyl)-4-biphenylyl]methanesulfonamide
CID 23626137

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(trifluoromethyl)phenyl]methanesulfonyl chloride (CID 594332) is [4-(trifluoromethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The InChIKey is KKBNUPMMAGEQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methanesulfonyl chloride?
[4-(trifluoromethyl)phenyl]methanesulfonyl chloride has a molecular weight of 258.65 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 594332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).