2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide

C10H14N6O2S — CID 64518479

IUPAC2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C10H14N6O2S/c1-16(7-10-13-4-5-14-10)19(17,18)8-2-3-12-9(6-8)15-11/h2-6H,7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCBQDAQMXYHRAKR-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.09
Rot. Bonds5

About 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide

2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide (PubChem CID 64518479) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
PubChem CID64518479
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C10H14N6O2S/c1-16(7-10-13-4-5-14-10)19(17,18)8-2-3-12-9(6-8)15-11/h2-6H,7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCBQDAQMXYHRAKR-UHFFFAOYSA-N
XLogP-0.09
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide (CID 64518479) is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1ccnc(NN)c1.
What is the InChIKey of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide?
The InChIKey is CBQDAQMXYHRAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-16(7-10-13-4-5-14-10)19(17,18)8-2-3-12-9(6-8)15-11/h2-6H,7,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide?
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 64518479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).