2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol

C15H15ClO3S — CID 106584901

IUPAC2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO3S/c1-11-3-2-4-12(9-11)15(17)10-20(18,19)14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3
InChIKeyGSBZPQZHUTVPDR-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol

2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol (PubChem CID 106584901) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
PubChem CID106584901
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO3S/c1-11-3-2-4-12(9-11)15(17)10-20(18,19)14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3
InChIKeyGSBZPQZHUTVPDR-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
CID 7085860
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(3-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanol
CID 111472427
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
ethyl 3-(4-chlorophenyl)sulfonyl-2-hydroxypropanoate
CID 22086033
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol (CID 106584901) is 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol?
The InChIKey is GSBZPQZHUTVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-11-3-2-4-12(9-11)15(17)10-20(18,19)14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol?
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol has a molecular weight of 310.80 g/mol, XLogP of 3.16, 4 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-(3-methylphenyl)ethanol is sourced from PubChem (CID 106584901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).