1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide

C17H15F3N2O4S — CID 9361204

IUPAC1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C17H15F3N2O4S/c1-27(24,25)22-9-8-11-10-12(2-7-15(11)22)16(23)21-13-3-5-14(6-4-13)26-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyZHJRGLKPPLAAPI-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.16
Rot. Bonds4

About 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 9361204) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID9361204
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC Name1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C17H15F3N2O4S/c1-27(24,25)22-9-8-11-10-12(2-7-15(11)22)16(23)21-13-3-5-14(6-4-13)26-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyZHJRGLKPPLAAPI-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141
N-(4-cyclopentylsulfonylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55611137
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55787848
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide (CID 9361204) is 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZHJRGLKPPLAAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c1-27(24,25)22-9-8-11-10-12(2-7-15(11)22)16(23)21-13-3-5-14(6-4-13)26-17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23).
What are the key properties of 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 9361204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).