4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide

C18H27BrN2O4S — CID 31719944

IUPAC4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCOC2CCCCC2)ccc1Br
InChIInChI=1S/C18H27BrN2O4S/c1-21(2)26(23,24)17-13-14(9-10-16(17)19)18(22)20-11-6-12-25-15-7-4-3-5-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyATRIZZPGPKOKOT-UHFFFAOYSA-N
MW447.40 g/mol
LogP3.17
Rot. Bonds8

About 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide

4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 31719944) has the molecular formula C18H27BrN2O4S and a molecular weight of 447.40 g/mol. Its IUPAC name is 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID31719944
Molecular FormulaC18H27BrN2O4S
Molecular Weight447.40 g/mol
Exact Mass446.09
IUPAC Name4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCCOC2CCCCC2)ccc1Br
InChIInChI=1S/C18H27BrN2O4S/c1-21(2)26(23,24)17-13-14(9-10-16(17)19)18(22)20-11-6-12-25-15-7-4-3-5-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyATRIZZPGPKOKOT-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 53.17
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

N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
3-bromo-4-(dimethylsulfamoyl)-N-[3-(methylamino)propyl]benzamide
CID 119434371
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide (CID 31719944) is 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCCCOC2CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ATRIZZPGPKOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O4S/c1-21(2)26(23,24)17-13-14(9-10-16(17)19)18(22)20-11-6-12-25-15-7-4-3-5-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 447.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 31719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).