2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole

C27H18ClF2NO2S — CID 132506395

IUPAC2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)c3cc(F)ccc32)cc1
InChIInChI=1S/C27H18ClF2NO2S/c1-17-2-13-23(14-3-17)34(32,33)31-25-15-12-22(30)16-24(25)26(18-6-10-21(29)11-7-18)27(31)19-4-8-20(28)9-5-19/h2-16H,1H3
InChIKeyUFOLIQIIMIZTFO-UHFFFAOYSA-N
MW493.96 g/mol
LogP7.45
Rot. Bonds4

About 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole

2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 132506395) has the molecular formula C27H18ClF2NO2S and a molecular weight of 493.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
PubChem CID132506395
Molecular FormulaC27H18ClF2NO2S
Molecular Weight493.96 g/mol
Exact Mass493.07
IUPAC Name2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)c3cc(F)ccc32)cc1
InChIInChI=1S/C27H18ClF2NO2S/c1-17-2-13-23(14-3-17)34(32,33)31-25-15-12-22(30)16-24(25)26(18-6-10-21(29)11-7-18)27(31)19-4-8-20(28)9-5-19/h2-16H,1H3
InChIKeyUFOLIQIIMIZTFO-UHFFFAOYSA-N
XLogP7.45
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.96
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
5-chloro-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784604
1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
CID 18559050
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
CID 102042180
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
CID 54751837
7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 146270808
1-[3-[5-fluoro-3-(3-isocyanothiophen-2-yl)-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]azetidine-3-carboxylic acid
CID 156685669
2-[3-[1-(4-chlorophenyl)sulfonyl-5-fluoro-3-(2-isocyanothiophen-3-yl)indol-2-yl]phenyl]cyclopropane-1-carboxylic acid
CID 156685586
1-[3-[5-fluoro-3-(2-isocyanothiophen-3-yl)-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]-3-methylazetidine-3-carboxylic acid
CID 156685885
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole (CID 132506395) is 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2c(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)c3cc(F)ccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is UFOLIQIIMIZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF2NO2S/c1-17-2-13-23(14-3-17)34(32,33)31-25-15-12-22(30)16-24(25)26(18-6-10-21(29)11-7-18)27(31)19-4-8-20(28)9-5-19/h2-16H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole?
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 493.96 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 132506395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).