(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone

C15H10ClF3O3S — CID 67720132

IUPAC(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
SMILESCc1cc(Cl)ccc1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O3S/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)23(21,22)15(17,18)19/h2-8H,1H3
InChIKeyZGHYOAMAEQHICT-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.17
Rot. Bonds3

About (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone

(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone (PubChem CID 67720132) has the molecular formula C15H10ClF3O3S and a molecular weight of 362.76 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
PubChem CID67720132
Molecular FormulaC15H10ClF3O3S
Molecular Weight362.76 g/mol
Exact Mass362.00
IUPAC Name(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
SMILESCc1cc(Cl)ccc1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O3S/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)23(21,22)15(17,18)19/h2-8H,1H3
InChIKeyZGHYOAMAEQHICT-UHFFFAOYSA-N
XLogP4.17
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone
CID 162413949
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
4-chlorobenzoic acid;4-chloro-2-methylbenzoic acid;iodomethane
CID 160911863
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The IUPAC name of (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone (CID 67720132) is (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone is Cc1cc(Cl)ccc1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The InChIKey is ZGHYOAMAEQHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3S/c1-9-8-11(16)4-7-13(9)14(20)10-2-5-12(6-3-10)23(21,22)15(17,18)19/h2-8H,1H3.
What are the key properties of (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
(4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone has a molecular weight of 362.76 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[4-(trifluoromethylsulfonyl)phenyl]methanone is sourced from PubChem (CID 67720132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).