5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide

C17H18BrN3O3S — CID 53059187

IUPAC5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21
InChIInChI=1S/C17H18BrN3O3S/c1-11-3-5-15(14(18)9-11)20-25(23,24)13-4-6-16-12(10-13)7-8-21(16)17(22)19-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,22)
InChIKeyWFTGZVOQZVGZML-UHFFFAOYSA-N
MW424.32 g/mol
LogP3.26
Rot. Bonds3

About 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide

5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 53059187) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID53059187
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC Name5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21
InChIInChI=1S/C17H18BrN3O3S/c1-11-3-5-15(14(18)9-11)20-25(23,24)13-4-6-16-12(10-13)7-8-21(16)17(22)19-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,22)
InChIKeyWFTGZVOQZVGZML-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 26488025
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide (CID 53059187) is 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide is CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21.
What is the InChIKey of 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is WFTGZVOQZVGZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c1-11-3-5-15(14(18)9-11)20-25(23,24)13-4-6-16-12(10-13)7-8-21(16)17(22)19-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53059187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).