2-naphthalen-1-ylsulfonylguanidine

C11H11N3O2S — CID 10682070

IUPAC2-naphthalen-1-ylsulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C11H11N3O2S/c12-11(13)14-17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,12,13,14)
InChIKeyFLNTWZZDTKZULN-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.80
Rot. Bonds2

About 2-naphthalen-1-ylsulfonylguanidine

2-naphthalen-1-ylsulfonylguanidine (PubChem CID 10682070) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfonylguanidine.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfonylguanidine
PubChem CID10682070
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-naphthalen-1-ylsulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C11H11N3O2S/c12-11(13)14-17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,12,13,14)
InChIKeyFLNTWZZDTKZULN-UHFFFAOYSA-N
XLogP0.80
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfonylguanidine?
The IUPAC name of 2-naphthalen-1-ylsulfonylguanidine (CID 10682070) is 2-naphthalen-1-ylsulfonylguanidine.
What is the SMILES notation for 2-naphthalen-1-ylsulfonylguanidine?
The canonical SMILES for 2-naphthalen-1-ylsulfonylguanidine is NC(N)=NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfonylguanidine?
The InChIKey is FLNTWZZDTKZULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-11(13)14-17(15,16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,12,13,14).
What are the key properties of 2-naphthalen-1-ylsulfonylguanidine?
2-naphthalen-1-ylsulfonylguanidine has a molecular weight of 249.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfonylguanidine is sourced from PubChem (CID 10682070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).