N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide

C15H18N2O3S — CID 68528787

IUPACN'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
SMILESCCCC(=O)NNS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-3-6-15(18)16-17-21(19,20)14-10-9-11(2)12-7-4-5-8-13(12)14/h4-5,7-10,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyBSKFJOFYJRYGCC-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds5

About N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide

N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide (PubChem CID 68528787) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide.

Molecular Properties

Compound NameN'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
PubChem CID68528787
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
SMILESCCCC(=O)NNS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-3-6-15(18)16-17-21(19,20)14-10-9-11(2)12-7-4-5-8-13(12)14/h4-5,7-10,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyBSKFJOFYJRYGCC-UHFFFAOYSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
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'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide?
The IUPAC name of N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide (CID 68528787) is N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide.
What is the SMILES notation for N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide?
The canonical SMILES for N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide is CCCC(=O)NNS(=O)(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide?
The InChIKey is BSKFJOFYJRYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-6-15(18)16-17-21(19,20)14-10-9-11(2)12-7-4-5-8-13(12)14/h4-5,7-10,17H,3,6H2,1-2H3,(H,16,18).
What are the key properties of N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide?
N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide has a molecular weight of 306.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide is sourced from PubChem (CID 68528787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).