2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol

C21H18O3S — CID 139779830

IUPAC2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol
SMILESC=C(C(O)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18O3S/c1-17(25(23,24)20-15-9-4-10-16-20)21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,1H2
InChIKeyUQUMHZYTEDKLBL-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.91
Rot. Bonds5

About 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol

2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol (PubChem CID 139779830) has the molecular formula C21H18O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol
PubChem CID139779830
Molecular FormulaC21H18O3S
Molecular Weight350.44 g/mol
Exact Mass350.10
IUPAC Name2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol
SMILESC=C(C(O)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18O3S/c1-17(25(23,24)20-15-9-4-10-16-20)21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,1H2
InChIKeyUQUMHZYTEDKLBL-UHFFFAOYSA-N
XLogP3.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
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CID 161419410
CID 161419410
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1-(benzenesulfonyl)-N-ethenylethenamine
CID 67900326
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol
CID 100932574
2-(benzenesulfonyl)but-3-en-2-ylbenzene
CID 134900402
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol (CID 139779830) is 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol is C=C(C(O)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol?
The InChIKey is UQUMHZYTEDKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3S/c1-17(25(23,24)20-15-9-4-10-16-20)21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,1H2.
What are the key properties of 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol?
2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol has a molecular weight of 350.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol is sourced from PubChem (CID 139779830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).