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

C25H18ClFO4S2 — CID 139652969

IUPAC1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H18ClFO4S2/c26-20-5-13-24(14-6-20)32(28,29)22-9-1-18(2-10-22)17-19-3-11-23(12-4-19)33(30,31)25-15-7-21(27)8-16-25/h1-16H,17H2
InChIKeyJXUBRDPAAFRTMF-UHFFFAOYSA-N
MW501.00 g/mol
LogP5.74
Rot. Bonds6

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

1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene (PubChem CID 139652969) has the molecular formula C25H18ClFO4S2 and a molecular weight of 501.00 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
PubChem CID139652969
Molecular FormulaC25H18ClFO4S2
Molecular Weight501.00 g/mol
Exact Mass500.03
IUPAC Name1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H18ClFO4S2/c26-20-5-13-24(14-6-20)32(28,29)22-9-1-18(2-10-22)17-19-3-11-23(12-4-19)33(30,31)25-15-7-21(27)8-16-25/h1-16H,17H2
InChIKeyJXUBRDPAAFRTMF-UHFFFAOYSA-N
XLogP5.74
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
CID 69440465
3-chloro-5-(4-fluorophenyl)sulfonylpyridine
CID 70244379
potassium 4-(4-chlorophenyl)sulfonylphenolate
CID 23704030
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone
CID 160739447
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine
CID 20888722
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine
CID 7197410

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene?
The IUPAC name of 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene (CID 139652969) is 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene?
The canonical SMILES for 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene is O=S(=O)(c1ccc(F)cc1)c1ccc(Cc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene?
The InChIKey is JXUBRDPAAFRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFO4S2/c26-20-5-13-24(14-6-20)32(28,29)22-9-1-18(2-10-22)17-19-3-11-23(12-4-19)33(30,31)25-15-7-21(27)8-16-25/h1-16H,17H2.
What are the key properties of 1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene?
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene has a molecular weight of 501.00 g/mol, XLogP of 5.74, 6 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]methyl]-4-(4-fluorophenyl)sulfonylbenzene is sourced from PubChem (CID 139652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).