N'-(benzenesulfonyl)-2-methylpropanehydrazide

C10H14N2O3S — CID 3537922

IUPACN'-(benzenesulfonyl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O3S/c1-8(2)10(13)11-12-16(14,15)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,11,13)
InChIKeyGJZBLVKLTGIWLM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.65
Rot. Bonds4

About N'-(benzenesulfonyl)-2-methylpropanehydrazide

N'-(benzenesulfonyl)-2-methylpropanehydrazide (PubChem CID 3537922) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-methylpropanehydrazide
PubChem CID3537922
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN'-(benzenesulfonyl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O3S/c1-8(2)10(13)11-12-16(14,15)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,11,13)
InChIKeyGJZBLVKLTGIWLM-UHFFFAOYSA-N
XLogP0.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-methylpropanehydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-methylpropanehydrazide (CID 3537922) is N'-(benzenesulfonyl)-2-methylpropanehydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-methylpropanehydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-methylpropanehydrazide is CC(C)C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-methylpropanehydrazide?
The InChIKey is GJZBLVKLTGIWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-8(2)10(13)11-12-16(14,15)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,11,13).
What are the key properties of N'-(benzenesulfonyl)-2-methylpropanehydrazide?
N'-(benzenesulfonyl)-2-methylpropanehydrazide has a molecular weight of 242.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-methylpropanehydrazide is sourced from PubChem (CID 3537922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).