3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

C16H17N3O5S — CID 9077674

IUPAC3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H17N3O5S/c20-14(9-11-25(23,24)13-6-2-1-3-7-13)17-18-15(21)12-19-10-5-4-8-16(19)22/h1-8,10H,9,11-12H2,(H,17,20)(H,18,21)
InChIKeyHPUHHINFSWSOKI-UHFFFAOYSA-N
MW363.40 g/mol
LogP-0.14
Rot. Bonds6

About 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (PubChem CID 9077674) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
PubChem CID9077674
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H17N3O5S/c20-14(9-11-25(23,24)13-6-2-1-3-7-13)17-18-15(21)12-19-10-5-4-8-16(19)22/h1-8,10H,9,11-12H2,(H,17,20)(H,18,21)
InChIKeyHPUHHINFSWSOKI-UHFFFAOYSA-N
XLogP-0.14
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842968
N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842972
N'-(2-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842983
2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
CID 8843043
N'-(2,6-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843052
N'-(2,5-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843113
N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843120
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9078072
4-fluoro-N-methyl-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzenesulfonamide
CID 9078131
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9078331
3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
CID 155957761

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The IUPAC name of 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (CID 9077674) is 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The InChIKey is HPUHHINFSWSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-14(9-11-25(23,24)13-6-2-1-3-7-13)17-18-15(21)12-19-10-5-4-8-16(19)22/h1-8,10H,9,11-12H2,(H,17,20)(H,18,21).
What are the key properties of 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide has a molecular weight of 363.40 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is sourced from PubChem (CID 9077674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).