N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

C10H8BrClN4O4S — CID 61053109

IUPACN-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1Cl
InChIInChI=1S/C10H8BrClN4O4S/c1-15-5-13-10(9(15)12)21(19,20)14-8-3-2-6(16(17)18)4-7(8)11/h2-5,14H,1H3
InChIKeyOQNFOFGBXSJBEI-UHFFFAOYSA-N
MW395.62 g/mol
LogP2.55
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 61053109) has the molecular formula C10H8BrClN4O4S and a molecular weight of 395.62 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID61053109
Molecular FormulaC10H8BrClN4O4S
Molecular Weight395.62 g/mol
Exact Mass393.91
IUPAC NameN-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1Cl
InChIInChI=1S/C10H8BrClN4O4S/c1-15-5-13-10(9(15)12)21(19,20)14-8-3-2-6(16(17)18)4-7(8)11/h2-5,14H,1H3
InChIKeyOQNFOFGBXSJBEI-UHFFFAOYSA-N
XLogP2.55
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
2-bromo-4-nitro-1-(sulfamoylamino)benzene
CID 112573617
5-chloro-N-(2,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415175
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
3-amino-N-(2-bromo-4-nitrophenyl)benzenesulfonamide
CID 107810852
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 81421377
5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
CID 114049410
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 61053109) is N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1Cl.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is OQNFOFGBXSJBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O4S/c1-15-5-13-10(9(15)12)21(19,20)14-8-3-2-6(16(17)18)4-7(8)11/h2-5,14H,1H3.
What are the key properties of N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 395.62 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61053109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).