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

C15H14ClFO3S — CID 69294035

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

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

2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol (PubChem CID 69294035) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
PubChem CID69294035
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)C(CO)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFO3S/c16-13-5-1-11(2-6-13)10-21(19,20)15(9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyPPMFYBFJLHHJCH-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-benzylsulfonyl-2-(4-fluorophenyl)ethanol
CID 69294013
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
(2S)-1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 6977008
1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 2725853
(3R,4R)-4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-hydroxybutan-2-one
CID 102347185
3-[(4-chlorophenyl)methylsulfonyl]-2-methylpropan-1-ol
CID 111469865
(4-chlorophenyl)methanesulfonic acid
CID 13354140
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
4-[(4-chlorophenyl)methylsulfonyl]pentan-2-one
CID 114792708
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol (CID 69294035) is 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol is O=S(=O)(Cc1ccc(Cl)cc1)C(CO)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol?
The InChIKey is PPMFYBFJLHHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c16-13-5-1-11(2-6-13)10-21(19,20)15(9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol?
2-[(4-chlorophenyl)methylsulfonyl]-2-(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]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 69294035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).