2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol

C20H17ClO3S — CID 2765163

IUPAC2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClO3S/c21-18-12-7-13-19(14-18)25(23,24)15-20(22,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15H2
InChIKeyDPFFXIYQVWQAQF-UHFFFAOYSA-N
MW372.87 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol

2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol (PubChem CID 2765163) has the molecular formula C20H17ClO3S and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol
PubChem CID2765163
Molecular FormulaC20H17ClO3S
Molecular Weight372.87 g/mol
Exact Mass372.06
IUPAC Name2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol
SMILESO=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClO3S/c21-18-12-7-13-19(14-18)25(23,24)15-20(22,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15H2
InChIKeyDPFFXIYQVWQAQF-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

Analyze 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rac-2-(4-(2-chlorophenylsulfonyl)phenyl)propan-2-ol
CID 11688174
2-[4-(2-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
2-[(4-Chlorobenzyl)sulfinyl]-1,1-diphenyl-1-ethanol
CID 2765169
2-(Benzylsulfinyl)-1,1-bis(4-chlorophenyl)-1-ethanol
CID 2765180
1-(Benzylsulfonyl)-2-(4-chlorophenyl)-2-propanol
CID 3728084
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
Rac-2-(4-(3-chlorophenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52948460
2-(4-Chlorophenyl)-1-[(4-methylbenzyl)sulfonyl]-2-propanol
CID 3726665
1-(Benzylsulfonyl)-2-(2-chlorophenyl)-2-propanol
CID 4359649
1-[(2-Chlorobenzyl)sulfonyl]-2-(4-methylphenyl)-2-propanol
CID 4552303
1-[(4-Methylphenyl)sulfonyl]-2-phenylpropan-2-ol
CID 15850358
(1S,2S)-2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 16220330

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol (CID 2765163) is 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol is O=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol?
The InChIKey is DPFFXIYQVWQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO3S/c21-18-12-7-13-19(14-18)25(23,24)15-20(22,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol?
2-(3-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-(3-chlorophenyl)sulfonyl-1,1-diphenylethanol is sourced from PubChem (CID 2765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).