(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol

C20H18O3S — CID 10969810

IUPAC(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol
SMILESO=S(=O)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H18O3S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22,23)18-14-8-3-9-15-18/h1-15,19-21H/t19-,20+/m1/s1
InChIKeyXLDOSVYVAXYNFW-UXHICEINSA-N
MW338.43 g/mol
LogP3.94
Rot. Bonds5

About (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol

(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol (PubChem CID 10969810) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol
PubChem CID10969810
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol
SMILESO=S(=O)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H18O3S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22,23)18-14-8-3-9-15-18/h1-15,19-21H/t19-,20+/m1/s1
InChIKeyXLDOSVYVAXYNFW-UXHICEINSA-N
XLogP3.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.94
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
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
9-Phenyl-9H-thioxanthen-9-ol 10,10-dioxide
CID 244708
2-(2-Hydroxy-2,2-diphenylethyl)sulfonyl-1,1-diphenylethanol
CID 266077
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
Benzhydryl 4-methylbenzenesulfonate
CID 227987
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
1-(Benzylsulfonyl)-2-phenyl-2-propanol
CID 4255750

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol (CID 10969810) is (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol is O=S(=O)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol?
The InChIKey is XLDOSVYVAXYNFW-UXHICEINSA-N. The full InChI is InChI=1S/C20H18O3S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22,23)18-14-8-3-9-15-18/h1-15,19-21H/t19-,20+/m1/s1.
What are the key properties of (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol?
(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol has a molecular weight of 338.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol is sourced from PubChem (CID 10969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).