1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol

C16H15F3O4S — CID 52946026

IUPAC1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O4S/c1-15(20,16(17,18)19)11-3-7-13(8-4-11)24(21,22)14-9-5-12(23-2)6-10-14/h3-10,20H,1-2H3
InChIKeyOJSGXLSONZGABF-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.30
Rot. Bonds4

About 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol

1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol (PubChem CID 52946026) has the molecular formula C16H15F3O4S and a molecular weight of 360.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol
PubChem CID52946026
Molecular FormulaC16H15F3O4S
Molecular Weight360.35 g/mol
Exact Mass360.06
IUPAC Name1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O4S/c1-15(20,16(17,18)19)11-3-7-13(8-4-11)24(21,22)14-9-5-12(23-2)6-10-14/h3-10,20H,1-2H3
InChIKeyOJSGXLSONZGABF-UHFFFAOYSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol (CID 52946026) is 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol is COc1ccc(S(=O)(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol?
The InChIKey is OJSGXLSONZGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O4S/c1-15(20,16(17,18)19)11-3-7-13(8-4-11)24(21,22)14-9-5-12(23-2)6-10-14/h3-10,20H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol has a molecular weight of 360.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-(4-methoxyphenyl)sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 52946026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).