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

C15H15ClO3S — CID 106585088

IUPAC2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H15ClO3S/c1-11-6-2-3-7-12(11)14(17)10-20(18,19)15-9-5-4-8-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyPVNKTDQNMKPBDZ-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.16
Rot. Bonds4

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

2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol (PubChem CID 106585088) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
PubChem CID106585088
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H15ClO3S/c1-11-6-2-3-7-12(11)14(17)10-20(18,19)15-9-5-4-8-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyPVNKTDQNMKPBDZ-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

2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 65442832
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-chlorobenzene
CID 64757505
2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
CID 47559173
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
CID 130493433
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
CID 56978110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol (CID 106585088) is 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol?
The InChIKey is PVNKTDQNMKPBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-11-6-2-3-7-12(11)14(17)10-20(18,19)15-9-5-4-8-13(15)16/h2-9,14,17H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol?
2-(2-chlorophenyl)sulfonyl-1-(2-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-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 106585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).