N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide

C12H13BrN4O3S — CID 61130314

IUPACN-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)c(Br)c1
InChIInChI=1S/C12H13BrN4O3S/c13-10-7-9(21(14,19)20)1-2-11(10)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5H2,(H,16,18)(H2,14,19,20)
InChIKeyZHBXVCGOYAQOOQ-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.32
Rot. Bonds5

About N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide

N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide (PubChem CID 61130314) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
PubChem CID61130314
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)c(Br)c1
InChIInChI=1S/C12H13BrN4O3S/c13-10-7-9(21(14,19)20)1-2-11(10)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5H2,(H,16,18)(H2,14,19,20)
InChIKeyZHBXVCGOYAQOOQ-UHFFFAOYSA-N
XLogP1.32
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
2-amino-N-[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]acetamide
CID 10666501
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
CID 60803296

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide (CID 61130314) is N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide is NS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is ZHBXVCGOYAQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c13-10-7-9(21(14,19)20)1-2-11(10)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5H2,(H,16,18)(H2,14,19,20).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide?
N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 373.23 g/mol, XLogP of 1.32, 5 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-imidazol-1-ylpropanamide is sourced from PubChem (CID 61130314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).