1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide

C20H19F3N2O3S — CID 110165992

IUPAC1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O3S/c1-4-25-13(3)12(2)15-11-14(9-10-17(15)25)19(26)24-29(27,28)18-8-6-5-7-16(18)20(21,22)23/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyIQNKOCPVXWWUKJ-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.42
Rot. Bonds4

About 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide

1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide (PubChem CID 110165992) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide
PubChem CID110165992
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O3S/c1-4-25-13(3)12(2)15-11-14(9-10-17(15)25)19(26)24-29(27,28)18-8-6-5-7-16(18)20(21,22)23/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyIQNKOCPVXWWUKJ-UHFFFAOYSA-N
XLogP4.42
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
1-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 71075001
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-[4-[[5-[[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 53470376

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide?
The IUPAC name of 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide (CID 110165992) is 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide?
The InChIKey is IQNKOCPVXWWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-4-25-13(3)12(2)15-11-14(9-10-17(15)25)19(26)24-29(27,28)18-8-6-5-7-16(18)20(21,22)23/h5-11H,4H2,1-3H3,(H,24,26).
What are the key properties of 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide?
1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonylindole-5-carboxamide is sourced from PubChem (CID 110165992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).