2-(benzenesulfonyl)-2-fluoro-1-phenylethanol

C14H13FO3S — CID 13460265

IUPAC2-(benzenesulfonyl)-2-fluoro-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13-14,16H
InChIKeyUVHJTYVNTYCXHQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.49
Rot. Bonds4

About 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol

2-(benzenesulfonyl)-2-fluoro-1-phenylethanol (PubChem CID 13460265) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-fluoro-1-phenylethanol
PubChem CID13460265
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name2-(benzenesulfonyl)-2-fluoro-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13-14,16H
InChIKeyUVHJTYVNTYCXHQ-UHFFFAOYSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Thiochroman-4-ol
CID 375102
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
[2-(Phenylsulfanyl)phenyl]methanol
CID 12682368
(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
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 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol?
The IUPAC name of 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol (CID 13460265) is 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol is O=S(=O)(c1ccccc1)C(F)C(O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol?
The InChIKey is UVHJTYVNTYCXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c15-14(13(16)11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13-14,16H.
What are the key properties of 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol?
2-(benzenesulfonyl)-2-fluoro-1-phenylethanol has a molecular weight of 280.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-fluoro-1-phenylethanol is sourced from PubChem (CID 13460265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).