2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol

C18H12ClFO3S — CID 67240365

IUPAC2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)cc1Cl
InChIInChI=1S/C18H12ClFO3S/c19-16-10-12(15-11-13(20)7-8-17(15)21)6-9-18(16)24(22,23)14-4-2-1-3-5-14/h1-11,21H
InChIKeyOJJVWKSSCJAKGZ-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.68
Rot. Bonds3

About 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol

2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol (PubChem CID 67240365) has the molecular formula C18H12ClFO3S and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol
PubChem CID67240365
Molecular FormulaC18H12ClFO3S
Molecular Weight362.81 g/mol
Exact Mass362.02
IUPAC Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)cc1Cl
InChIInChI=1S/C18H12ClFO3S/c19-16-10-12(15-11-13(20)7-8-17(15)21)6-9-18(16)24(22,23)14-4-2-1-3-5-14/h1-11,21H
InChIKeyOJJVWKSSCJAKGZ-UHFFFAOYSA-N
XLogP4.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonyl(14C)benzonitrile
CID 118721951
[1,1'-Biphenyl]-4-ol, 4'-[(4-chlorophenyl)sulfonyl]-
CID 10450227
4'-(4-Fluorobenzene-1-sulfonyl)[1,1'-biphenyl]-4-ol
CID 20391980
2-(3'-Chloro-4'-(phenylsulfonyl)-4-biphenylyl)-1,1,1-trifluoro-2-propanol
CID 56932983
3-(3-Chloro-4-fluorophenyl)-5-methylsulfonylphenol
CID 57863031
6-[2-[2-(2-Chlorophenyl)sulfanylphenyl]ethyl]-2,3-difluorophenol
CID 58192662
2-[4-[2-Chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 59753138
2-[4-(Benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 59753158
(2R)-2-(3'-chloro-4'-(phenylsulfonyl)-4-biphenylyl)-1,1,1-trifluoro-2-propanol
CID 66582462
(2S)-2-(3'-chloro-4'-(phenylsulfonyl)-4-biphenylyl)-1,1,1-trifluoro-2-propanol
CID 66582853
2-[2-Chloro-3-(methylsulfonyl)benzyl]-4-fluorophenol
CID 66734089
2-[2-Fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol
CID 67238543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol?
The IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol (CID 67240365) is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol?
The canonical SMILES for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol is O=S(=O)(c1ccccc1)c1ccc(-c2cc(F)ccc2O)cc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol?
The InChIKey is OJJVWKSSCJAKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO3S/c19-16-10-12(15-11-13(20)7-8-17(15)21)6-9-18(16)24(22,23)14-4-2-1-3-5-14/h1-11,21H.
What are the key properties of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol?
2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol has a molecular weight of 362.81 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-4-fluorophenol is sourced from PubChem (CID 67240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).