N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide

C10H9BrN4O4S — CID 104815465

IUPACN-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cnc[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O4S/c1-6-2-7(11)8(3-9(6)15(16)17)14-20(18,19)10-4-12-5-13-10/h2-5,14H,1H3,(H,12,13)
InChIKeyMJVXYVBHZAUCAS-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.19
Rot. Bonds4

About N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide

N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide (PubChem CID 104815465) has the molecular formula C10H9BrN4O4S and a molecular weight of 361.18 g/mol. Its IUPAC name is N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
PubChem CID104815465
Molecular FormulaC10H9BrN4O4S
Molecular Weight361.18 g/mol
Exact Mass359.95
IUPAC NameN-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cnc[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O4S/c1-6-2-7(11)8(3-9(6)15(16)17)14-20(18,19)10-4-12-5-13-10/h2-5,14H,1H3,(H,12,13)
InChIKeyMJVXYVBHZAUCAS-UHFFFAOYSA-N
XLogP2.19
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.19
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-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 82864859
2-bromo-N-(1H-imidazol-5-ylmethyl)-5-methyl-4-nitroaniline
CID 114048079
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
CID 102693349
N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 104821449
4-[(2-bromo-4-methyl-5-nitrophenyl)sulfamoyl]butanoic acid
CID 104814757
(2-bromo-4-methyl-5-nitrophenyl)cyanamide
CID 104815335
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 104757885
2-bromo-4-methyl-5-nitro-N-pentan-3-ylaniline
CID 113456261
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824350
2-bromo-N-butan-2-yl-4-methyl-5-nitroaniline
CID 104815090
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide (CID 104815465) is N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cnc[nH]2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is MJVXYVBHZAUCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O4S/c1-6-2-7(11)8(3-9(6)15(16)17)14-20(18,19)10-4-12-5-13-10/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide?
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 361.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104815465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).