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

C18H21BrN2O4S — CID 86974402

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCc2ccc(O)cc2)ccc1Br
InChIInChI=1S/C18H21BrN2O4S/c1-21(2)26(24,25)17-12-14(7-10-16(17)19)18(23)20-11-3-4-13-5-8-15(22)9-6-13/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyJAAIOMFOMIHSNB-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.77
Rot. Bonds7

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

4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide (PubChem CID 86974402) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
PubChem CID86974402
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCc2ccc(O)cc2)ccc1Br
InChIInChI=1S/C18H21BrN2O4S/c1-21(2)26(24,25)17-12-14(7-10-16(17)19)18(23)20-11-3-4-13-5-8-15(22)9-6-13/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyJAAIOMFOMIHSNB-UHFFFAOYSA-N
XLogP2.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.77
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

3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 110288744
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
CID 119434371
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
4-bromo-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(dimethylsulfamoyl)benzamide
CID 46796939
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
4-bromo-3-(dimethylsulfamoyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29333465
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227498

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide (CID 86974402) is 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCCCc2ccc(O)cc2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The InChIKey is JAAIOMFOMIHSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-21(2)26(24,25)17-12-14(7-10-16(17)19)18(23)20-11-3-4-13-5-8-15(22)9-6-13/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,23).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide has a molecular weight of 441.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide is sourced from PubChem (CID 86974402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).