1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene

C24H16ClFO4S2 — CID 3093538

IUPAC1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H16ClFO4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyHMNPLZKECCIFAU-UHFFFAOYSA-N
MW486.97 g/mol
LogP5.81
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene

1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene (PubChem CID 3093538) has the molecular formula C24H16ClFO4S2 and a molecular weight of 486.97 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene
PubChem CID3093538
Molecular FormulaC24H16ClFO4S2
Molecular Weight486.97 g/mol
Exact Mass486.02
IUPAC Name1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H16ClFO4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyHMNPLZKECCIFAU-UHFFFAOYSA-N
XLogP5.81
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.97
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Bis((4-chlorophenyl)sulfonyl)-1,1'-biphenyl
CID 635646
1-(3-Chloro-4-fluorophenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 10786954
1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene
CID 44400752
(4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-3-ethyl-octahydro-isothiochromene 2,2-dioxide
CID 44411651
2-(1-(4-Chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene
CID 9929326
2-Chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 10832407
[4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-cyclohexyl]-methanesulfonamide
CID 21963897
2-[1-(4-Chlorophenyl)sulfonyl-4-(cyclopropylsulfonylmethyl)cyclohexyl]-1,4-difluorobenzene
CID 21963931
2-[4-(Benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylcyclohexyl]-1,4-difluorobenzene
CID 21963960
2-{1-[(4-Chlorobenzene)sulfonyl]-4-[(trifluoromethane)sulfonylmethyl]cyclohexyl}-1,4-difluorobenzene
CID 21963967
2-[1-(4-Chlorophenyl)sulfonyl-4-(iodomethyl)cyclohexyl]-1,4-difluorobenzene
CID 21963972
1-{1-[(4-Chlorophenyl)sulfonyl]cyclohexyl}-2-fluorobenzene
CID 44400790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene (CID 3093538) is 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene is O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene?
The InChIKey is HMNPLZKECCIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFO4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene?
1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene has a molecular weight of 486.97 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylphenyl]-4-(4-fluorophenyl)sulfonylbenzene is sourced from PubChem (CID 3093538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).