2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C15H11ClF4O3S — CID 59753133

IUPAC2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H11ClF4O3S/c1-14(21,15(18,19)20)9-2-5-11(6-3-9)24(22,23)13-7-4-10(17)8-12(13)16/h2-8,21H,1H3
InChIKeyXJLUKACBVQJKGY-UHFFFAOYSA-N
MW382.76 g/mol
LogP4.08
Rot. Bonds3

About 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 59753133) has the molecular formula C15H11ClF4O3S and a molecular weight of 382.76 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID59753133
Molecular FormulaC15H11ClF4O3S
Molecular Weight382.76 g/mol
Exact Mass382.01
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H11ClF4O3S/c1-14(21,15(18,19)20)9-2-5-11(6-3-9)24(22,23)13-7-4-10(17)8-12(13)16/h2-8,21H,1H3
InChIKeyXJLUKACBVQJKGY-UHFFFAOYSA-N
XLogP4.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 59753133) is 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XJLUKACBVQJKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O3S/c1-14(21,15(18,19)20)9-2-5-11(6-3-9)24(22,23)13-7-4-10(17)8-12(13)16/h2-8,21H,1H3.
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 382.76 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 59753133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).