2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene

C23H21ClF2O2S — CID 23028629

IUPAC2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
SMILESCC(CCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H21ClF2O2S/c1-16(17-5-3-2-4-6-17)7-14-23(21-15-19(25)10-13-22(21)26)29(27,28)20-11-8-18(24)9-12-20/h2-6,8-13,15-16,23H,7,14H2,1H3
InChIKeyZLUMRUOZTDNQJA-UHFFFAOYSA-N
MW434.94 g/mol
LogP6.72
Rot. Bonds7

About 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene

2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene (PubChem CID 23028629) has the molecular formula C23H21ClF2O2S and a molecular weight of 434.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
PubChem CID23028629
Molecular FormulaC23H21ClF2O2S
Molecular Weight434.94 g/mol
Exact Mass434.09
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
SMILESCC(CCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H21ClF2O2S/c1-16(17-5-3-2-4-6-17)7-14-23(21-15-19(25)10-13-22(21)26)29(27,28)20-11-8-18(24)9-12-20/h2-6,8-13,15-16,23H,7,14H2,1H3
InChIKeyZLUMRUOZTDNQJA-UHFFFAOYSA-N
XLogP6.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.94
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
CID 59750748
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
tert-butyl-[2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]sulfanylethoxy]-diphenyl-λ4-sulfane
CID 59750802
[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl] pyridine-2-carboxylate
CID 141068504
1,4-difluoro-2-[1-(4-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750767
tert-butyl N-[2-[tert-butyl(diphenyl)-λ4-sulfanyl]oxyethyl]-N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]carbamate
CID 59750723
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutanal
CID 86601720
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene (CID 23028629) is 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene is CC(CCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene?
The InChIKey is ZLUMRUOZTDNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2O2S/c1-16(17-5-3-2-4-6-17)7-14-23(21-15-19(25)10-13-22(21)26)29(27,28)20-11-8-18(24)9-12-20/h2-6,8-13,15-16,23H,7,14H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene?
2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene has a molecular weight of 434.94 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene is sourced from PubChem (CID 23028629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).