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

C10H12BrN3O4S — CID 9296499

IUPACN-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H12BrN3O4S/c1-13-19(17,18)6-2-3-8(11)7(4-6)10(16)14-5-9(12)15/h2-4,13H,5H2,1H3,(H2,12,15)(H,14,16)
InChIKeyNMHLJAKOJFZHAM-UHFFFAOYSA-N
MW350.19 g/mol
LogP-0.43
Rot. Bonds5

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

N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide (PubChem CID 9296499) has the molecular formula C10H12BrN3O4S and a molecular weight of 350.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
PubChem CID9296499
Molecular FormulaC10H12BrN3O4S
Molecular Weight350.19 g/mol
Exact Mass348.97
IUPAC NameN-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H12BrN3O4S/c1-13-19(17,18)6-2-3-8(11)7(4-6)10(16)14-5-9(12)15/h2-4,13H,5H2,1H3,(H2,12,15)(H,14,16)
InChIKeyNMHLJAKOJFZHAM-UHFFFAOYSA-N
XLogP-0.43
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
2-bromo-5-(tert-butylsulfamoyl)-N-prop-2-ynylbenzamide
CID 32693294
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
CID 9209150
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(prop-2-enylsulfamoyl)benzamide
CID 9301754
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
CID 154873489
2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide
CID 154860806
2-chloro-5-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713789

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide (CID 9296499) is N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide?
The InChIKey is NMHLJAKOJFZHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O4S/c1-13-19(17,18)6-2-3-8(11)7(4-6)10(16)14-5-9(12)15/h2-4,13H,5H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide?
N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide has a molecular weight of 350.19 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 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-(methylsulfamoyl)benzamide is sourced from PubChem (CID 9296499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).