2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide

C19H17N3O2S — CID 2410937

IUPAC2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide
SMILESO=C(CSc1cccc[n+]1[O-])NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(15-25-19-13-7-8-14-21(19)24)20-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,20,23)
InChIKeyJAEHNJDPLVVXMT-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide

2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide (PubChem CID 2410937) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide
PubChem CID2410937
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide
SMILESO=C(CSc1cccc[n+]1[O-])NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(15-25-19-13-7-8-14-21(19)24)20-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,20,23)
InChIKeyJAEHNJDPLVVXMT-UHFFFAOYSA-N
XLogP3.28
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide (CID 2410937) is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide is O=C(CSc1cccc[n+]1[O-])NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide?
The InChIKey is JAEHNJDPLVVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(15-25-19-13-7-8-14-21(19)24)20-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,20,23).
What are the key properties of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide?
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide has a molecular weight of 351.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 2410937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).