N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide

C9H7BrN4O4S — CID 82864859

IUPACN-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1Br
InChIInChI=1S/C9H7BrN4O4S/c10-7-3-6(1-2-8(7)14(15)16)13-19(17,18)9-4-11-5-12-9/h1-5,13H,(H,11,12)
InChIKeyAUNBHWNCAQYYAM-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.88
Rot. Bonds4

About N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide

N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide (PubChem CID 82864859) has the molecular formula C9H7BrN4O4S and a molecular weight of 347.15 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
PubChem CID82864859
Molecular FormulaC9H7BrN4O4S
Molecular Weight347.15 g/mol
Exact Mass345.94
IUPAC NameN-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1Br
InChIInChI=1S/C9H7BrN4O4S/c10-7-3-6(1-2-8(7)14(15)16)13-19(17,18)9-4-11-5-12-9/h1-5,13H,(H,11,12)
InChIKeyAUNBHWNCAQYYAM-UHFFFAOYSA-N
XLogP1.88
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 104815465
N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 104821449
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(4-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
N-[4-(2-chloroethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 65031162
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204
3-bromo-4-nitro-N-(1,3-oxazol-5-ylmethyl)aniline
CID 82864862
N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
CID 82864638
N-(2-cyano-4-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 82015244
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide (CID 82864859) is N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1Br.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is AUNBHWNCAQYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O4S/c10-7-3-6(1-2-8(7)14(15)16)13-19(17,18)9-4-11-5-12-9/h1-5,13H,(H,11,12).
What are the key properties of N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide?
N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 347.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 82864859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).