2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol

C18H11ClF2O3S — CID 67241252

IUPAC2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccc(-c2cc(F)ccc2O)cc1F)c1ccccc1Cl
InChIInChI=1S/C18H11ClF2O3S/c19-14-3-1-2-4-17(14)25(23,24)18-8-5-11(9-15(18)21)13-10-12(20)6-7-16(13)22/h1-10,22H
InChIKeyMLNKBWOKWFMYDU-UHFFFAOYSA-N
MW380.80 g/mol
LogP4.82
Rot. Bonds3

About 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol

2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol (PubChem CID 67241252) has the molecular formula C18H11ClF2O3S and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol
PubChem CID67241252
Molecular FormulaC18H11ClF2O3S
Molecular Weight380.80 g/mol
Exact Mass380.01
IUPAC Name2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol
SMILESO=S(=O)(c1ccc(-c2cc(F)ccc2O)cc1F)c1ccccc1Cl
InChIInChI=1S/C18H11ClF2O3S/c19-14-3-1-2-4-17(14)25(23,24)18-8-5-11(9-15(18)21)13-10-12(20)6-7-16(13)22/h1-10,22H
InChIKeyMLNKBWOKWFMYDU-UHFFFAOYSA-N
XLogP4.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[({4-[(4-Chlorobenzene)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}methane)sulfonyl]phenol
CID 25263469
2-[4-(2-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
[1,1'-Biphenyl]-4-ol, 4'-[(4-chlorophenyl)sulfonyl]-
CID 10450227
(S)-2-[4-(2-Chloro-benzenesulfonyl)-phenyl]-1,1,1-trifluoro-propan-2-ol
CID 11653483
(2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 11717555
4'-(4-Fluorobenzene-1-sulfonyl)[1,1'-biphenyl]-4-ol
CID 20391980
6-[2-[2-(4-Chlorophenyl)sulfanylphenyl]ethyl]-2,3-difluorophenol
CID 58192620
2-[2-[2-(4-Chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol
CID 58192624
6-[2-[2-(2-Chlorophenyl)sulfanylphenyl]ethyl]-2,3-difluorophenol
CID 58192662
6-[2-[2-(3-Chlorophenyl)sulfanylphenyl]ethyl]-2,3-difluorophenol
CID 58192674
2-[4-(2-Chloro-4-fluoro-benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 59753133
2-[4-[2-Chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 59753138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol (CID 67241252) is 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol is O=S(=O)(c1ccc(-c2cc(F)ccc2O)cc1F)c1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol?
The InChIKey is MLNKBWOKWFMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2O3S/c19-14-3-1-2-4-17(14)25(23,24)18-8-5-11(9-15(18)21)13-10-12(20)6-7-16(13)22/h1-10,22H.
What are the key properties of 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol?
2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol has a molecular weight of 380.80 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)sulfonyl-3-fluorophenyl]-4-fluorophenol is sourced from PubChem (CID 67241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).