2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide

C10H14N6O3S — CID 12919381

IUPAC2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)NN)cc21
InChIInChI=1S/C10H14N6O3S/c1-15(2)20(18,19)16-8-5-6(9(17)14-12)3-4-7(8)13-10(16)11/h3-5H,12H2,1-2H3,(H2,11,13)(H,14,17)
InChIKeyABWWJYZXFAULBK-UHFFFAOYSA-N
MW298.33 g/mol
LogP-1.12
Rot. Bonds3

About 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide

2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide (PubChem CID 12919381) has the molecular formula C10H14N6O3S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide
PubChem CID12919381
Molecular FormulaC10H14N6O3S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)NN)cc21
InChIInChI=1S/C10H14N6O3S/c1-15(2)20(18,19)16-8-5-6(9(17)14-12)3-4-7(8)13-10(16)11/h3-5H,12H2,1-2H3,(H2,11,13)(H,14,17)
InChIKeyABWWJYZXFAULBK-UHFFFAOYSA-N
XLogP-1.12
TPSA136.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide?
The IUPAC name of 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide (CID 12919381) is 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide.
What is the SMILES notation for 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide?
The canonical SMILES for 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)NN)cc21.
What is the InChIKey of 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide?
The InChIKey is ABWWJYZXFAULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3S/c1-15(2)20(18,19)16-8-5-6(9(17)14-12)3-4-7(8)13-10(16)11/h3-5H,12H2,1-2H3,(H2,11,13)(H,14,17).
What are the key properties of 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide?
2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide is sourced from PubChem (CID 12919381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).