(2S)-2-(benzenesulfonyl)-2-phenylethanol

C14H14O3S — CID 102034260

IUPAC(2S)-2-(benzenesulfonyl)-2-phenylethanol
SMILESO=S(=O)(c1ccccc1)[C@H](CO)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-11-14(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1
InChIKeyPDXMPLDSZBXFNF-CQSZACIVSA-N
MW262.33 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-(benzenesulfonyl)-2-phenylethanol

(2S)-2-(benzenesulfonyl)-2-phenylethanol (PubChem CID 102034260) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonyl)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonyl)-2-phenylethanol
PubChem CID102034260
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(2S)-2-(benzenesulfonyl)-2-phenylethanol
SMILESO=S(=O)(c1ccccc1)[C@H](CO)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-11-14(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1
InChIKeyPDXMPLDSZBXFNF-CQSZACIVSA-N
XLogP2.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
(2-Methanesulfonylphenyl)methanol
CID 22050773
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
2-(Benzylsulfonyl)cyclohexan-1-ol
CID 2725945
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonyl)-2-phenylethanol?
The IUPAC name of (2S)-2-(benzenesulfonyl)-2-phenylethanol (CID 102034260) is (2S)-2-(benzenesulfonyl)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(benzenesulfonyl)-2-phenylethanol?
The canonical SMILES for (2S)-2-(benzenesulfonyl)-2-phenylethanol is O=S(=O)(c1ccccc1)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonyl)-2-phenylethanol?
The InChIKey is PDXMPLDSZBXFNF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14O3S/c15-11-14(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1.
What are the key properties of (2S)-2-(benzenesulfonyl)-2-phenylethanol?
(2S)-2-(benzenesulfonyl)-2-phenylethanol has a molecular weight of 262.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonyl)-2-phenylethanol is sourced from PubChem (CID 102034260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).