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

C15H10F4O4S — CID 57044561

IUPAC(5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
SMILESCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H10F4O4S/c1-24(22,23)13-6-8(15(17,18)19)2-4-10(13)14(21)11-7-9(16)3-5-12(11)20/h2-7,20H,1H3
InChIKeyWPMRHNCQAMWNBB-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.18
Rot. Bonds3

About (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone

(5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 57044561) has the molecular formula C15H10F4O4S and a molecular weight of 362.30 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID57044561
Molecular FormulaC15H10F4O4S
Molecular Weight362.30 g/mol
Exact Mass362.02
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
SMILESCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H10F4O4S/c1-24(22,23)13-6-8(15(17,18)19)2-4-10(13)14(21)11-7-9(16)3-5-12(11)20/h2-7,20H,1H3
InChIKeyWPMRHNCQAMWNBB-UHFFFAOYSA-N
XLogP3.18
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone (CID 57044561) is (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone is CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is WPMRHNCQAMWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O4S/c1-24(22,23)13-6-8(15(17,18)19)2-4-10(13)14(21)11-7-9(16)3-5-12(11)20/h2-7,20H,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone?
(5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 362.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 57044561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).