2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol

C20H17ClO3S — CID 1480392

IUPAC2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO3S/c21-18-11-13-19(14-12-18)25(23,24)15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2
InChIKeySSPQOSURCMLJAT-UHFFFAOYSA-N
MW372.87 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol

2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol (PubChem CID 1480392) has the molecular formula C20H17ClO3S and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
PubChem CID1480392
Molecular FormulaC20H17ClO3S
Molecular Weight372.87 g/mol
Exact Mass372.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO3S/c21-18-11-13-19(14-12-18)25(23,24)15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2
InChIKeySSPQOSURCMLJAT-UHFFFAOYSA-N
XLogP4.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
CID 1471130
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
CID 14580196
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
benzene;4-chlorobenzenesulfonic acid
CID 159988924
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
(2R)-3-(benzenesulfonyl)-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
CID 1476452
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol (CID 1480392) is 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol is O=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The InChIKey is SSPQOSURCMLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO3S/c21-18-11-13-19(14-12-18)25(23,24)15-20(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol?
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol has a molecular weight of 372.87 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol is sourced from PubChem (CID 1480392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).