3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide

C21H25BrN2O4S — CID 91250314

IUPAC3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N(Br)c1ccccc1
InChIInChI=1S/C21H25BrN2O4S/c1-28-19-14-13-16(21(25)23-17-9-5-2-3-6-10-17)15-20(19)29(26,27)24(22)18-11-7-4-8-12-18/h4,7-8,11-15,17H,2-3,5-6,9-10H2,1H3,(H,23,25)
InChIKeyNJDMSSZCOAMMDG-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.65
Rot. Bonds6

About 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide

3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide (PubChem CID 91250314) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
PubChem CID91250314
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC Name3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N(Br)c1ccccc1
InChIInChI=1S/C21H25BrN2O4S/c1-28-19-14-13-16(21(25)23-17-9-5-2-3-6-10-17)15-20(19)29(26,27)24(22)18-11-7-4-8-12-18/h4,7-8,11-15,17H,2-3,5-6,9-10H2,1H3,(H,23,25)
InChIKeyNJDMSSZCOAMMDG-UHFFFAOYSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The IUPAC name of 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide (CID 91250314) is 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide.
What is the SMILES notation for 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The canonical SMILES for 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N(Br)c1ccccc1.
What is the InChIKey of 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The InChIKey is NJDMSSZCOAMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-28-19-14-13-16(21(25)23-17-9-5-2-3-6-10-17)15-20(19)29(26,27)24(22)18-11-7-4-8-12-18/h4,7-8,11-15,17H,2-3,5-6,9-10H2,1H3,(H,23,25).
What are the key properties of 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide has a molecular weight of 481.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide is sourced from PubChem (CID 91250314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).