(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide

C12H14N2O4S — CID 5466652

IUPAC(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide
SMILESCC(=O)/C=C\C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O4S/c1-9-3-6-11(7-4-9)19(17,18)14-13-12(16)8-5-10(2)15/h3-8,14H,1-2H3,(H,13,16)/b8-5-
InChIKeyOPBWKLXVROIGOJ-YVMONPNESA-N
MW282.32 g/mol
LogP0.45
Rot. Bonds5

About (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide

(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide (PubChem CID 5466652) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide.

Molecular Properties

Compound Name(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide
PubChem CID5466652
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide
SMILESCC(=O)/C=C\C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O4S/c1-9-3-6-11(7-4-9)19(17,18)14-13-12(16)8-5-10(2)15/h3-8,14H,1-2H3,(H,13,16)/b8-5-
InChIKeyOPBWKLXVROIGOJ-YVMONPNESA-N
XLogP0.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
CID 2420757
2-cyano-N'-[(4-methylphenyl)sulfonyl]acetohydrazide
CID 5035758
5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one
CID 11834379
(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
CID 11098648
Pcmd-CC-mcm-23
CID 11834388
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 562881
Semioxamazide, 5-hydroxy-1-(p-tolylsulfonyl)-
CID 3047114
2-Butenedioic acid, (E)-, mono(2-((4-methylphenyl)sulfonyl)hydrazide)
CID 6435795
(E)-N'-methyl-N'-(4-methylphenyl)sulfonyl-3-phenylprop-2-enehydrazide
CID 13634917
N-Hydrazinocarbonylmethyl-4,N-dimethyl-benzenesulfonamide
CID 2302661
N-butanoyl-N'-(p-toluenesulfonyl)hydrazine
CID 229175
2-Propenamide, N-[(4-methylphenyl)sulfonyl]-
CID 11746302

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide?
The IUPAC name of (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide (CID 5466652) is (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide.
What is the SMILES notation for (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide?
The canonical SMILES for (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide is CC(=O)/C=C\C(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide?
The InChIKey is OPBWKLXVROIGOJ-YVMONPNESA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9-3-6-11(7-4-9)19(17,18)14-13-12(16)8-5-10(2)15/h3-8,14H,1-2H3,(H,13,16)/b8-5-.
What are the key properties of (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide?
(Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide has a molecular weight of 282.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide is sourced from PubChem (CID 5466652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).