(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide

C11H14N2O3S — CID 23532377

IUPAC(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide
SMILESC/C=C(\C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c1-3-9(2)11(14)12-13-17(15,16)10-7-5-4-6-8-10/h3-8,13H,1-2H3,(H,12,14)/b9-3+
InChIKeyKAVJCORQTHLUGO-YCRREMRBSA-N
MW254.31 g/mol
LogP0.96
Rot. Bonds4

About (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide

(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide (PubChem CID 23532377) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide
PubChem CID23532377
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide
SMILESC/C=C(\C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c1-3-9(2)11(14)12-13-17(15,16)10-7-5-4-6-8-10/h3-8,13H,1-2H3,(H,12,14)/b9-3+
InChIKeyKAVJCORQTHLUGO-YCRREMRBSA-N
XLogP0.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide?
The IUPAC name of (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide (CID 23532377) is (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide.
What is the SMILES notation for (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide?
The canonical SMILES for (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide is C/C=C(\C)C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide?
The InChIKey is KAVJCORQTHLUGO-YCRREMRBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-9(2)11(14)12-13-17(15,16)10-7-5-4-6-8-10/h3-8,13H,1-2H3,(H,12,14)/b9-3+.
What are the key properties of (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide?
(E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide has a molecular weight of 254.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(benzenesulfonyl)-2-methylbut-2-enehydrazide is sourced from PubChem (CID 23532377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).