2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide

C10H12N6O4S — CID 64531575

IUPAC2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H12N6O4S/c11-15-8-2-1-7(16(17)18)5-9(8)21(19,20)14-6-10-12-3-4-13-10/h1-5,14-15H,6,11H2,(H,12,13)
InChIKeyYQOQUZBOQUAPTA-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.08
Rot. Bonds6

About 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide

2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide (PubChem CID 64531575) has the molecular formula C10H12N6O4S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
PubChem CID64531575
Molecular FormulaC10H12N6O4S
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H12N6O4S/c11-15-8-2-1-7(16(17)18)5-9(8)21(19,20)14-6-10-12-3-4-13-10/h1-5,14-15H,6,11H2,(H,12,13)
InChIKeyYQOQUZBOQUAPTA-UHFFFAOYSA-N
XLogP0.08
TPSA156.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide 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

3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
3-amino-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzenesulfonamide
CID 115993693
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
N-(1H-imidazol-2-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64531322
3-fluoro-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82855179
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 64532316
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
N-(1H-imidazol-2-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 23079310
N-(1H-imidazol-2-ylmethyl)-5-nitropyrimidin-2-amine
CID 64530901
N-(1H-imidazol-2-ylmethyl)-1-(3-nitrophenyl)methanamine
CID 62504703

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide (CID 64531575) is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide?
The InChIKey is YQOQUZBOQUAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4S/c11-15-8-2-1-7(16(17)18)5-9(8)21(19,20)14-6-10-12-3-4-13-10/h1-5,14-15H,6,11H2,(H,12,13).
What are the key properties of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide?
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 64531575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).