3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide

C13H20BrN3O3S — CID 119434371

IUPAC3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-15-7-4-8-16-13(18)10-5-6-12(11(14)9-10)21(19,20)17(2)3/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyPJFSEHLFYCOYQL-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.04
Rot. Bonds7

About 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide

3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide (PubChem CID 119434371) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
PubChem CID119434371
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-15-7-4-8-16-13(18)10-5-6-12(11(14)9-10)21(19,20)17(2)3/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyPJFSEHLFYCOYQL-UHFFFAOYSA-N
XLogP1.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
3-bromo-4-(dimethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454444
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
2-[[3-bromo-4-(dimethylsulfamoyl)benzoyl]-methylamino]propanoic acid
CID 119209286
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
4-bromo-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(dimethylsulfamoyl)benzamide
CID 46796939
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide (CID 119434371) is 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide?
The InChIKey is PJFSEHLFYCOYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-15-7-4-8-16-13(18)10-5-6-12(11(14)9-10)21(19,20)17(2)3/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide?
3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide has a molecular weight of 378.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119434371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).