6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide

C9H12N6O2S — CID 64531399

IUPAC6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C9H12N6O2S/c10-15-8-2-1-7(5-13-8)18(16,17)14-6-9-11-3-4-12-9/h1-5,14H,6,10H2,(H,11,12)(H,13,15)
InChIKeyOTIRJUNRPQQZLN-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.43
Rot. Bonds5

About 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide

6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64531399) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID64531399
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C9H12N6O2S/c10-15-8-2-1-7(5-13-8)18(16,17)14-6-9-11-3-4-12-9/h1-5,14H,6,10H2,(H,11,12)(H,13,15)
InChIKeyOTIRJUNRPQQZLN-UHFFFAOYSA-N
XLogP-0.43
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
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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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide (CID 64531399) is 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide is NNc1ccc(S(=O)(=O)NCc2ncc[nH]2)cn1.
What is the InChIKey of 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is OTIRJUNRPQQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c10-15-8-2-1-7(5-13-8)18(16,17)14-6-9-11-3-4-12-9/h1-5,14H,6,10H2,(H,11,12)(H,13,15).
What are the key properties of 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64531399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).