2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide

C15H17N3O4S — CID 95916335

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NN)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-10-8-11(2)18(9-13(19)17-16)15(20)14(10)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyDVQQZBMMOMBGIW-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.29
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide (PubChem CID 95916335) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide
PubChem CID95916335
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NN)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-10-8-11(2)18(9-13(19)17-16)15(20)14(10)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyDVQQZBMMOMBGIW-UHFFFAOYSA-N
XLogP0.29
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
CID 155957761
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one
CID 2161702
3-(4-methylphenyl)sulfonyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9077670
3-(benzenesulfonyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9077674
2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 9077978
2-[2-[3-(benzenesulfonyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9503938
2-[3-(Benzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-cyclopentylacetamide
CID 27476822
2-[3-(Benzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-cyclohexylacetamide
CID 50928591
N-butyl-2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]acetamide
CID 50928593
N-(butan-2-yl)-2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]acetamide
CID 50928596
N-(2-(Cyclohex-1-en-1-yl)ethyl)-2-(4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl)acetamide
CID 50928597
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(3-methylbutyl)acetamide
CID 50928598

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide (CID 95916335) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide is Cc1cc(C)n(CC(=O)NN)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide?
The InChIKey is DVQQZBMMOMBGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-8-11(2)18(9-13(19)17-16)15(20)14(10)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide has a molecular weight of 335.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 95916335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).