2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol

C15H14ClFO3S — CID 47561636

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFO3S/c16-13-5-1-11(2-6-13)9-21(19,20)10-15(18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyJCYZWKNHPMZUGW-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.13
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol

2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol (PubChem CID 47561636) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
PubChem CID47561636
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFO3S/c16-13-5-1-11(2-6-13)9-21(19,20)10-15(18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyJCYZWKNHPMZUGW-UHFFFAOYSA-N
XLogP3.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905426
1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 2725853
(2S)-1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 6977008
2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
CID 69294035
1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005789
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfonyl]ethanol
CID 47562541
2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
CID 115047465
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
3-[(4-chlorophenyl)methylsulfonyl]-2-methylpropan-1-ol
CID 111469865
2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol
CID 11291055

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol (CID 47561636) is 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol is O=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol?
The InChIKey is JCYZWKNHPMZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c16-13-5-1-11(2-6-13)9-21(19,20)10-15(18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol?
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol has a molecular weight of 328.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 47561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).