3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide

C10H12N6O4S — CID 82847849

IUPAC3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2ncc[nH]2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O4S/c11-15-8-5-7(1-2-9(8)16(17)18)21(19,20)14-6-10-12-3-4-13-10/h1-5,14-15H,6,11H2,(H,12,13)
InChIKeySPZVCILNAQXPLW-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.08
Rot. Bonds6

About 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide

3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide (PubChem CID 82847849) has the molecular formula C10H12N6O4S and a molecular weight of 312.31 g/mol. Its IUPAC name is 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
PubChem CID82847849
Molecular FormulaC10H12N6O4S
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Name3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2ncc[nH]2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O4S/c11-15-8-5-7(1-2-9(8)16(17)18)21(19,20)14-6-10-12-3-4-13-10/h1-5,14-15H,6,11H2,(H,12,13)
InChIKeySPZVCILNAQXPLW-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 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-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-fluoro-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82855179
N-(1H-imidazol-2-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64531322
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 64532316
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-methyl-5-nitrobenzenesulfonamide
CID 64529928
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
3-amino-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzenesulfonamide
CID 115993693
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide (CID 82847849) is 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide is NNc1cc(S(=O)(=O)NCc2ncc[nH]2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide?
The InChIKey is SPZVCILNAQXPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4S/c11-15-8-5-7(1-2-9(8)16(17)18)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 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide?
3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-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 3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).