1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol

C15H15FO3S — CID 134861884

IUPAC1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3S/c1-15(17,12-7-9-13(16)10-8-12)11-20(18,19)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyCGYCXTFFFUJOMF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol

1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol (PubChem CID 134861884) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol
PubChem CID134861884
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3S/c1-15(17,12-7-9-13(16)10-8-12)11-20(18,19)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyCGYCXTFFFUJOMF-UHFFFAOYSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220
Rac-1,1,1-trifluoro-2-(4-(4-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52942397

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol (CID 134861884) is 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol is CC(O)(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol?
The InChIKey is CGYCXTFFFUJOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c1-15(17,12-7-9-13(16)10-8-12)11-20(18,19)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol?
1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 294.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 134861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).