2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide

C22H21N3O3S — CID 142032479

IUPAC2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-15-13-18-9-12-20(29(23,27)28)14-21(18)25(15)22(26)24-19-10-7-17(8-11-19)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyXFCLYZOYFQNWKL-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.98
Rot. Bonds3

About 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide

2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide (PubChem CID 142032479) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
PubChem CID142032479
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-15-13-18-9-12-20(29(23,27)28)14-21(18)25(15)22(26)24-19-10-7-17(8-11-19)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyXFCLYZOYFQNWKL-UHFFFAOYSA-N
XLogP3.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(biphenyl-4-yl)-1-(methylsulfonyl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004896
Carbonic anhydrase inhibitor 3
CID 38150302
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
2-methyl-6-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 9909726
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(2-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372217
N-(2,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372353
N-(4-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372871
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
CID 53372872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide (CID 142032479) is 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is XFCLYZOYFQNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15-13-18-9-12-20(29(23,27)28)14-21(18)25(15)22(26)24-19-10-7-17(8-11-19)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142032479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).