2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol

C14H10ClF3O3S — CID 67280152

IUPAC2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1
InChIInChI=1S/C14H10ClF3O3S/c1-22(20,21)9-3-4-10(12(15)7-9)11-6-8(14(16,17)18)2-5-13(11)19/h2-7,19H,1H3
InChIKeyBMZMZRLRPLWVQM-UHFFFAOYSA-N
MW350.75 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol

2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol (PubChem CID 67280152) has the molecular formula C14H10ClF3O3S and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol
PubChem CID67280152
Molecular FormulaC14H10ClF3O3S
Molecular Weight350.75 g/mol
Exact Mass350.00
IUPAC Name2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1
InChIInChI=1S/C14H10ClF3O3S/c1-22(20,21)9-3-4-10(12(15)7-9)11-6-8(14(16,17)18)2-5-13(11)19/h2-7,19H,1H3
InChIKeyBMZMZRLRPLWVQM-UHFFFAOYSA-N
XLogP4.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol (CID 67280152) is 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol?
The InChIKey is BMZMZRLRPLWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O3S/c1-22(20,21)9-3-4-10(12(15)7-9)11-6-8(14(16,17)18)2-5-13(11)19/h2-7,19H,1H3.
What are the key properties of 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol?
2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol has a molecular weight of 350.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 67280152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).