4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide

C20H22BrN3O3S — CID 17495544

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Br
InChIInChI=1S/C20H22BrN3O3S/c1-23(2)28(26,27)19-14-16(8-9-17(19)21)20(25)22-11-5-12-24-13-10-15-6-3-4-7-18(15)24/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,22,25)
InChIKeyRKEAVKNWUVWDMC-UHFFFAOYSA-N
MW464.39 g/mol
LogP3.47
Rot. Bonds7

About 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 17495544) has the molecular formula C20H22BrN3O3S and a molecular weight of 464.39 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
PubChem CID17495544
Molecular FormulaC20H22BrN3O3S
Molecular Weight464.39 g/mol
Exact Mass463.06
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Br
InChIInChI=1S/C20H22BrN3O3S/c1-23(2)28(26,27)19-14-16(8-9-17(19)21)20(25)22-11-5-12-24-13-10-15-6-3-4-7-18(15)24/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,22,25)
InChIKeyRKEAVKNWUVWDMC-UHFFFAOYSA-N
XLogP3.47
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
CID 119434371
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide (CID 17495544) is 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is RKEAVKNWUVWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S/c1-23(2)28(26,27)19-14-16(8-9-17(19)21)20(25)22-11-5-12-24-13-10-15-6-3-4-7-18(15)24/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 464.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 17495544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).