N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide

C11H11BrN4O3S — CID 103511171

IUPACN-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-16-6-14-5-10(16)11(17)15-9-3-2-7(4-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyLTDYPJNDVQXCQS-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.08
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide (PubChem CID 103511171) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
PubChem CID103511171
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-16-6-14-5-10(16)11(17)15-9-3-2-7(4-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyLTDYPJNDVQXCQS-UHFFFAOYSA-N
XLogP1.08
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(5-fluoro-2-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511933
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
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4-bromo-3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 114003854
N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
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4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260502
N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
CID 61130314
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
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CID 61128224

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide (CID 103511171) is N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is LTDYPJNDVQXCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c1-16-6-14-5-10(16)11(17)15-9-3-2-7(4-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).