N'-(benzenesulfonyl)octanehydrazide

C14H22N2O3S — CID 3432469

IUPACN'-(benzenesulfonyl)octanehydrazide
SMILESCCCCCCCC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-4-5-9-12-14(17)15-16-20(18,19)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,15,17)
InChIKeyNOYVOODJQXFYSQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.36
Rot. Bonds9

About N'-(benzenesulfonyl)octanehydrazide

N'-(benzenesulfonyl)octanehydrazide (PubChem CID 3432469) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)octanehydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)octanehydrazide
PubChem CID3432469
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN'-(benzenesulfonyl)octanehydrazide
SMILESCCCCCCCC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-4-5-9-12-14(17)15-16-20(18,19)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,15,17)
InChIKeyNOYVOODJQXFYSQ-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-(benzenesulfonyl)octanehydrazide?
The IUPAC name of N'-(benzenesulfonyl)octanehydrazide (CID 3432469) is N'-(benzenesulfonyl)octanehydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)octanehydrazide?
The canonical SMILES for N'-(benzenesulfonyl)octanehydrazide is CCCCCCCC(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)octanehydrazide?
The InChIKey is NOYVOODJQXFYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-3-4-5-9-12-14(17)15-16-20(18,19)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,15,17).
What are the key properties of N'-(benzenesulfonyl)octanehydrazide?
N'-(benzenesulfonyl)octanehydrazide has a molecular weight of 298.41 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)octanehydrazide is sourced from PubChem (CID 3432469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).