N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide

C13H17N5O2S — CID 82736468

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H17N5O2S/c1-2-10-4-3-7-15-12(10)9-17-21(19,20)11-5-6-13(18-14)16-8-11/h3-8,17H,2,9,14H2,1H3,(H,16,18)
InChIKeyXHTNNRWEMZTUNM-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.80
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide

N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 82736468) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID82736468
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H17N5O2S/c1-2-10-4-3-7-15-12(10)9-17-21(19,20)11-5-6-13(18-14)16-8-11/h3-8,17H,2,9,14H2,1H3,(H,16,18)
InChIKeyXHTNNRWEMZTUNM-UHFFFAOYSA-N
XLogP0.80
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.80
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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Related Compounds

6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
CID 167795356
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 63284073
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
CID 82739933

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide (CID 82736468) is N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide is CCc1cccnc1CNS(=O)(=O)c1ccc(NN)nc1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is XHTNNRWEMZTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-2-10-4-3-7-15-12(10)9-17-21(19,20)11-5-6-13(18-14)16-8-11/h3-8,17H,2,9,14H2,1H3,(H,16,18).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 82736468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).