5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide

C23H17F3N2O4S — CID 134121314

IUPAC5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H17F3N2O4S/c24-23(25,26)18-7-4-8-20(14-18)33(30,31)27-22(29)28-12-11-17-13-19(9-10-21(17)28)32-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,27,29)
InChIKeyZGYDCEXHICMYAX-UHFFFAOYSA-N
MW474.46 g/mol
LogP5.19
Rot. Bonds5

About 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide

5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide (PubChem CID 134121314) has the molecular formula C23H17F3N2O4S and a molecular weight of 474.46 g/mol. Its IUPAC name is 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide
PubChem CID134121314
Molecular FormulaC23H17F3N2O4S
Molecular Weight474.46 g/mol
Exact Mass474.09
IUPAC Name5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H17F3N2O4S/c24-23(25,26)18-7-4-8-20(14-18)33(30,31)27-22(29)28-12-11-17-13-19(9-10-21(17)28)32-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,27,29)
InChIKeyZGYDCEXHICMYAX-UHFFFAOYSA-N
XLogP5.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166788
6-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 129278646
5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
2-amino-4-oxo-4-[5-[[4-(2-phenylethyl)phenyl]methoxy]indol-1-yl]butanoic acid
CID 68834631
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide?
The IUPAC name of 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide (CID 134121314) is 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide?
The canonical SMILES for 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide?
The InChIKey is ZGYDCEXHICMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4S/c24-23(25,26)18-7-4-8-20(14-18)33(30,31)27-22(29)28-12-11-17-13-19(9-10-21(17)28)32-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,27,29).
What are the key properties of 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide?
5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]sulfonylindole-1-carboxamide is sourced from PubChem (CID 134121314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).