N'-(benzenesulfonyl)hexanehydrazide

C12H18N2O3S — CID 3106536

IUPACN'-(benzenesulfonyl)hexanehydrazide
SMILESCCCCCC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-5-10-12(15)13-14-18(16,17)11-8-6-4-7-9-11/h4,6-9,14H,2-3,5,10H2,1H3,(H,13,15)
InChIKeyXNQPEUHWERXGPA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.58
Rot. Bonds7

About N'-(benzenesulfonyl)hexanehydrazide

N'-(benzenesulfonyl)hexanehydrazide (PubChem CID 3106536) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N'-(benzenesulfonyl)hexanehydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)hexanehydrazide
PubChem CID3106536
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN'-(benzenesulfonyl)hexanehydrazide
SMILESCCCCCC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-5-10-12(15)13-14-18(16,17)11-8-6-4-7-9-11/h4,6-9,14H,2-3,5,10H2,1H3,(H,13,15)
InChIKeyXNQPEUHWERXGPA-UHFFFAOYSA-N
XLogP1.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.58
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)hexanehydrazide?
The IUPAC name of N'-(benzenesulfonyl)hexanehydrazide (CID 3106536) is N'-(benzenesulfonyl)hexanehydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)hexanehydrazide?
The canonical SMILES for N'-(benzenesulfonyl)hexanehydrazide is CCCCCC(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)hexanehydrazide?
The InChIKey is XNQPEUHWERXGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-3-5-10-12(15)13-14-18(16,17)11-8-6-4-7-9-11/h4,6-9,14H,2-3,5,10H2,1H3,(H,13,15).
What are the key properties of N'-(benzenesulfonyl)hexanehydrazide?
N'-(benzenesulfonyl)hexanehydrazide has a molecular weight of 270.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)hexanehydrazide is sourced from PubChem (CID 3106536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).