2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C15H12ClF3O3S — CID 52948460

IUPAC2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F
InChIInChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-5-7-12(8-6-10)23(21,22)13-4-2-3-11(16)9-13/h2-9,20H,1H3
InChIKeyPBTLIUUMEYQLCW-UHFFFAOYSA-N
MW364.77 g/mol
LogP3.94
Rot. Bonds3

About 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 52948460) has the molecular formula C15H12ClF3O3S and a molecular weight of 364.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID52948460
Molecular FormulaC15H12ClF3O3S
Molecular Weight364.77 g/mol
Exact Mass364.01
IUPAC Name2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F
InChIInChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-5-7-12(8-6-10)23(21,22)13-4-2-3-11(16)9-13/h2-9,20H,1H3
InChIKeyPBTLIUUMEYQLCW-UHFFFAOYSA-N
XLogP3.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 52948460) is 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PBTLIUUMEYQLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-5-7-12(8-6-10)23(21,22)13-4-2-3-11(16)9-13/h2-9,20H,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 364.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 52948460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).