4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide

C17H23BrN2O3S — CID 30500581

IUPAC4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1Br
InChIInChI=1S/C17H23BrN2O3S/c1-20(2)24(22,23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21)
InChIKeyBOBGAWQQZVCCTJ-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.32
Rot. Bonds6

About 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide

4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 30500581) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID30500581
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1Br
InChIInChI=1S/C17H23BrN2O3S/c1-20(2)24(22,23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21)
InChIKeyBOBGAWQQZVCCTJ-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786498
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
CID 17351627
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
CID 55581111
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 30500581) is 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is BOBGAWQQZVCCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c1-20(2)24(22,23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 415.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 30500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).