2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide

C16H23BrN2O3S — CID 9214228

IUPAC2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23BrN2O3S/c1-3-19(4-2)23(21,22)13-9-10-15(17)14(11-13)16(20)18-12-7-5-6-8-12/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyNAHBJYHNTHZKJX-UHFFFAOYSA-N
MW403.34 g/mol
LogP3.15
Rot. Bonds6

About 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide

2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide (PubChem CID 9214228) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
PubChem CID9214228
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23BrN2O3S/c1-3-19(4-2)23(21,22)13-9-10-15(17)14(11-13)16(20)18-12-7-5-6-8-12/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyNAHBJYHNTHZKJX-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
CID 9209150
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide (CID 9214228) is 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide?
The InChIKey is NAHBJYHNTHZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-3-19(4-2)23(21,22)13-9-10-15(17)14(11-13)16(20)18-12-7-5-6-8-12/h9-12H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide?
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide has a molecular weight of 403.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 9214228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).