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

C10H9ClN4O4S — CID 61051631

IUPAC5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-4-2-3-5-8(7)15(16)17/h2-6,13H,1H3
InChIKeySRMKOIPYXSPUIY-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.78
Rot. Bonds4

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

5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide (PubChem CID 61051631) has the molecular formula C10H9ClN4O4S and a molecular weight of 316.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
PubChem CID61051631
Molecular FormulaC10H9ClN4O4S
Molecular Weight316.73 g/mol
Exact Mass316.00
IUPAC Name5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-4-2-3-5-8(7)15(16)17/h2-6,13H,1H3
InChIKeySRMKOIPYXSPUIY-UHFFFAOYSA-N
XLogP1.78
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.78
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'}

Analyze 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61053109
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
CID 43415193
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide (CID 61051631) is 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide?
The InChIKey is SRMKOIPYXSPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-4-2-3-5-8(7)15(16)17/h2-6,13H,1H3.
What are the key properties of 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide has a molecular weight of 316.73 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61051631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).