5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide

C14H18BrN3O4S — CID 9209150

IUPAC5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18BrN3O4S/c15-12-6-5-10(23(21,22)17-8-13(16)19)7-11(12)14(20)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,16,19)(H,18,20)
InChIKeyXKZNIJYVIHHMAX-UHFFFAOYSA-N
MW404.29 g/mol
LogP0.89
Rot. Bonds6

About 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide

5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide (PubChem CID 9209150) has the molecular formula C14H18BrN3O4S and a molecular weight of 404.29 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
PubChem CID9209150
Molecular FormulaC14H18BrN3O4S
Molecular Weight404.29 g/mol
Exact Mass403.02
IUPAC Name5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18BrN3O4S/c15-12-6-5-10(23(21,22)17-8-13(16)19)7-11(12)14(20)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,16,19)(H,18,20)
InChIKeyXKZNIJYVIHHMAX-UHFFFAOYSA-N
XLogP0.89
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
CID 33295438
2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 115886717
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
CID 9296499
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
2-bromo-5-(6-hydroxyhexylsulfamoyl)benzoic acid
CID 107847689

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide?
The IUPAC name of 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide (CID 9209150) is 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide is NC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide?
The InChIKey is XKZNIJYVIHHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O4S/c15-12-6-5-10(23(21,22)17-8-13(16)19)7-11(12)14(20)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,16,19)(H,18,20).
What are the key properties of 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide?
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide has a molecular weight of 404.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide is sourced from PubChem (CID 9209150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).