5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide

C17H16BrN3O3S — CID 166221467

IUPAC5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc(Br)ccc3C)ccc2[nH]1
InChIInChI=1S/C17H16BrN3O3S/c1-10-3-4-12(18)9-16(10)25(23,24)21-13-5-6-14-11(7-13)8-15(20-14)17(22)19-2/h3-9,20-21H,1-2H3,(H,19,22)
InChIKeyDKIFVTOCOIDPAC-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.40
Rot. Bonds4

About 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide

5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166221467) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
PubChem CID166221467
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC Name5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc(Br)ccc3C)ccc2[nH]1
InChIInChI=1S/C17H16BrN3O3S/c1-10-3-4-12(18)9-16(10)25(23,24)21-13-5-6-14-11(7-13)8-15(20-14)17(22)19-2/h3-9,20-21H,1-2H3,(H,19,22)
InChIKeyDKIFVTOCOIDPAC-UHFFFAOYSA-N
XLogP3.40
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-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-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 167957313
5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 30787552
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide (CID 166221467) is 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(Br)ccc3C)ccc2[nH]1.
What is the InChIKey of 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DKIFVTOCOIDPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c1-10-3-4-12(18)9-16(10)25(23,24)21-13-5-6-14-11(7-13)8-15(20-14)17(22)19-2/h3-9,20-21H,1-2H3,(H,19,22).
What are the key properties of 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 422.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166221467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).