N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide

C23H26BrN7O4S — CID 166748366

IUPACN-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc[nH]2)cc1S(=O)(=O)N(CCCCCCN=[N+]=[N-])c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN7O4S/c1-35-21-11-8-18(29-23(32)20-15-26-16-27-20)14-22(21)36(33,34)31(19-9-6-17(24)7-10-19)13-5-3-2-4-12-28-30-25/h6-11,14-16H,2-5,12-13H2,1H3,(H,26,27)(H,29,32)
InChIKeyHRMKEDVECYXZPY-UHFFFAOYSA-N
MW576.48 g/mol
LogP5.50
Rot. Bonds13

About N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide

N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide (PubChem CID 166748366) has the molecular formula C23H26BrN7O4S and a molecular weight of 576.48 g/mol. Its IUPAC name is N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide
PubChem CID166748366
Molecular FormulaC23H26BrN7O4S
Molecular Weight576.48 g/mol
Exact Mass575.10
IUPAC NameN-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc[nH]2)cc1S(=O)(=O)N(CCCCCCN=[N+]=[N-])c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN7O4S/c1-35-21-11-8-18(29-23(32)20-15-26-16-27-20)14-22(21)36(33,34)31(19-9-6-17(24)7-10-19)13-5-3-2-4-12-28-30-25/h6-11,14-16H,2-5,12-13H2,1H3,(H,26,27)(H,29,32)
InChIKeyHRMKEDVECYXZPY-UHFFFAOYSA-N
XLogP5.50
TPSA153.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(N-(5-amino-2-methoxyphenyl)sulfonyl-4-bromoanilino)hexanoate
CID 168786278
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251
N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
CID 174832575
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694
N-[3-[6-bromohexyl-(4-bromophenyl)sulfinamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 168786175
N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751783
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide (CID 166748366) is N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide is COc1ccc(NC(=O)c2cnc[nH]2)cc1S(=O)(=O)N(CCCCCCN=[N+]=[N-])c1ccc(Br)cc1.
What is the InChIKey of N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide?
The InChIKey is HRMKEDVECYXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN7O4S/c1-35-21-11-8-18(29-23(32)20-15-26-16-27-20)14-22(21)36(33,34)31(19-9-6-17(24)7-10-19)13-5-3-2-4-12-28-30-25/h6-11,14-16H,2-5,12-13H2,1H3,(H,26,27)(H,29,32).
What are the key properties of N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide?
N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide has a molecular weight of 576.48 g/mol, XLogP of 5.50, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-azidohexyl-(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 166748366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).