N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide

C23H18F3N3O3S — CID 90100688

IUPACN-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)15-27-33(31,32)18-10-11-19(16-6-2-1-3-7-16)20(14-18)28-22(30)29-13-12-17-8-4-5-9-21(17)29/h1-14,27H,15H2,(H,28,30)
InChIKeyGMOSWTXVEDNAGA-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.23
Rot. Bonds5

About N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide

N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide (PubChem CID 90100688) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide
PubChem CID90100688
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC NameN-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)15-27-33(31,32)18-10-11-19(16-6-2-1-3-7-16)20(14-18)28-22(30)29-13-12-17-8-4-5-9-21(17)29/h1-14,27H,15H2,(H,28,30)
InChIKeyGMOSWTXVEDNAGA-UHFFFAOYSA-N
XLogP5.23
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
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Substituted phenylsulfonyltryptamine, 11j
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N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
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CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(propan-2-yl)phenyl]benzene-1-sulfonamide
CID 24825384
4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825385

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide?
The IUPAC name of N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide (CID 90100688) is N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide?
The canonical SMILES for N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide is O=C(Nc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide?
The InChIKey is GMOSWTXVEDNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-27-33(31,32)18-10-11-19(16-6-2-1-3-7-16)20(14-18)28-22(30)29-13-12-17-8-4-5-9-21(17)29/h1-14,27H,15H2,(H,28,30).
What are the key properties of N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide?
N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 90100688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).