3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

C22H16F4N2O2S — CID 171514609

IUPAC3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(-c1ccccc1F)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F4N2O2S/c1-27-31(29,30)16-10-11-21-18(12-16)19(17-4-2-3-5-20(17)23)13-28(21)15-8-6-14(7-9-15)22(24,25)26/h2-13,27H,1H3
InChIKeyVGVOHSMLTBWTRZ-UHFFFAOYSA-N
MW448.44 g/mol
LogP5.36
Rot. Bonds4

About 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (PubChem CID 171514609) has the molecular formula C22H16F4N2O2S and a molecular weight of 448.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
PubChem CID171514609
Molecular FormulaC22H16F4N2O2S
Molecular Weight448.44 g/mol
Exact Mass448.09
IUPAC Name3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(-c1ccccc1F)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F4N2O2S/c1-27-31(29,30)16-10-11-21-18(12-16)19(17-4-2-3-5-20(17)23)13-28(21)15-8-6-14(7-9-15)22(24,25)26/h2-13,27H,1H3
InChIKeyVGVOHSMLTBWTRZ-UHFFFAOYSA-N
XLogP5.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-propan-2-ylimidazol-4-yl)-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514560
3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514593
1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
CID 171514607
N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171786914
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
CID 138668859
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
1-methyl-2-oxo-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinoline-6-sulfonamide
CID 21015297
2-methyl-7-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole
CID 157038056
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The IUPAC name of 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (CID 171514609) is 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)c(-c1ccccc1F)cn2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The InChIKey is VGVOHSMLTBWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O2S/c1-27-31(29,30)16-10-11-21-18(12-16)19(17-4-2-3-5-20(17)23)13-28(21)15-8-6-14(7-9-15)22(24,25)26/h2-13,27H,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide has a molecular weight of 448.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is sourced from PubChem (CID 171514609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).