N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide

C13H18BrN3O4S — CID 9296732

IUPACN-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C13H18BrN3O4S/c1-3-17(4-2)22(20,21)9-5-6-11(14)10(7-9)13(19)16-8-12(15)18/h5-7H,3-4,8H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyAJELXHPGJUODRT-UHFFFAOYSA-N
MW392.28 g/mol
LogP0.69
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide

N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide (PubChem CID 9296732) has the molecular formula C13H18BrN3O4S and a molecular weight of 392.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
PubChem CID9296732
Molecular FormulaC13H18BrN3O4S
Molecular Weight392.28 g/mol
Exact Mass391.02
IUPAC NameN-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C13H18BrN3O4S/c1-3-17(4-2)22(20,21)9-5-6-11(14)10(7-9)13(19)16-8-12(15)18/h5-7H,3-4,8H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyAJELXHPGJUODRT-UHFFFAOYSA-N
XLogP0.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
CID 9296499
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86836069
2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
CID 26515577
2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 43006202
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide (CID 9296732) is N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide?
The InChIKey is AJELXHPGJUODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O4S/c1-3-17(4-2)22(20,21)9-5-6-11(14)10(7-9)13(19)16-8-12(15)18/h5-7H,3-4,8H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide?
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide has a molecular weight of 392.28 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 9296732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).