(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone

C15H11F3O4S — CID 57169442

IUPAC(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
SMILESCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1ccccc1O
InChIInChI=1S/C15H11F3O4S/c1-23(21,22)13-8-9(15(16,17)18)6-7-11(13)14(20)10-4-2-3-5-12(10)19/h2-8,19H,1H3
InChIKeyXYZNXBBCMQDCHK-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.05
Rot. Bonds3

About (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone

(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 57169442) has the molecular formula C15H11F3O4S and a molecular weight of 344.31 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID57169442
Molecular FormulaC15H11F3O4S
Molecular Weight344.31 g/mol
Exact Mass344.03
IUPAC Name(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
SMILESCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1ccccc1O
InChIInChI=1S/C15H11F3O4S/c1-23(21,22)13-8-9(15(16,17)18)6-7-11(13)14(20)10-4-2-3-5-12(10)19/h2-8,19H,1H3
InChIKeyXYZNXBBCMQDCHK-UHFFFAOYSA-N
XLogP3.05
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone (CID 57169442) is (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone is CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XYZNXBBCMQDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4S/c1-23(21,22)13-8-9(15(16,17)18)6-7-11(13)14(20)10-4-2-3-5-12(10)19/h2-8,19H,1H3.
What are the key properties of (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
(2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 344.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 57169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).