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

C15H14ClFO3S — CID 110905426

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccccc1F
InChIInChI=1S/C15H14ClFO3S/c16-12-7-5-11(6-8-12)9-21(19,20)10-15(18)13-3-1-2-4-14(13)17/h1-8,15,18H,9-10H2
InChIKeyHJZNCDPPOZRXLD-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.13
Rot. Bonds5

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

2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol (PubChem CID 110905426) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
PubChem CID110905426
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccccc1F
InChIInChI=1S/C15H14ClFO3S/c16-12-7-5-11(6-8-12)9-21(19,20)10-15(18)13-3-1-2-4-14(13)17/h1-8,15,18H,9-10H2
InChIKeyHJZNCDPPOZRXLD-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-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005789
1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
CID 110905401
3-[(4-chlorophenyl)methylsulfonyl]-2-methylpropan-1-ol
CID 111469865
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 27171385
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
(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
1-(2-benzylsulfonyl-1-chloroethyl)-4-chlorobenzene
CID 86105400
3-[(4-chlorophenyl)methylsulfonyl]-2-phenylpropan-1-amine
CID 114792851
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol (CID 110905426) is 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol is O=S(=O)(Cc1ccc(Cl)cc1)CC(O)c1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The InChIKey is HJZNCDPPOZRXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c16-12-7-5-11(6-8-12)9-21(19,20)10-15(18)13-3-1-2-4-14(13)17/h1-8,15,18H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-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-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).