6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole

C23H16F5NO2S — CID 141441884

IUPAC6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(C(F)(F)F)c4)c3c2)c(F)c1F
InChIInChI=1S/C23H16F5NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-29(20(16)12-15)32(30,31)19-4-2-3-18(13-19)23(26,27)28/h2-10,12-13H,11H2,1H3
InChIKeyNIIQLSOCLSLPDU-UHFFFAOYSA-N
MW465.44 g/mol
LogP6.07
Rot. Bonds4

About 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole (PubChem CID 141441884) has the molecular formula C23H16F5NO2S and a molecular weight of 465.44 g/mol. Its IUPAC name is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole.

Molecular Properties

Compound Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
PubChem CID141441884
Molecular FormulaC23H16F5NO2S
Molecular Weight465.44 g/mol
Exact Mass465.08
IUPAC Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(C(F)(F)F)c4)c3c2)c(F)c1F
InChIInChI=1S/C23H16F5NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-29(20(16)12-15)32(30,31)19-4-2-3-18(13-19)23(26,27)28/h2-10,12-13H,11H2,1H3
InChIKeyNIIQLSOCLSLPDU-UHFFFAOYSA-N
XLogP6.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
CID 141441936
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
CID 141441934
6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
CID 141441909
6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 155530797
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
(E)-3-[3-[6-(2,2-dimethylpropyl)indol-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 156542412
3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141006407
N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine
CID 122449426
[1-[[1-[3-(trifluoromethyl)phenyl]sulfonylindol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 70843107
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole?
The IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole (CID 141441884) is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole.
What is the SMILES notation for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole?
The canonical SMILES for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole is Cc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(C(F)(F)F)c4)c3c2)c(F)c1F.
What is the InChIKey of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole?
The InChIKey is NIIQLSOCLSLPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-29(20(16)12-15)32(30,31)19-4-2-3-18(13-19)23(26,27)28/h2-10,12-13H,11H2,1H3.
What are the key properties of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole?
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole has a molecular weight of 465.44 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole is sourced from PubChem (CID 141441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).