1-naphthalen-2-ylsulfonyl-1,2,4-triazole

C12H9N3O2S — CID 3505425

IUPAC1-naphthalen-2-ylsulfonyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cncn1
InChIInChI=1S/C12H9N3O2S/c16-18(17,15-9-13-8-14-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyNDSYTLJMOZFEGX-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.67
Rot. Bonds2

About 1-naphthalen-2-ylsulfonyl-1,2,4-triazole

1-naphthalen-2-ylsulfonyl-1,2,4-triazole (PubChem CID 3505425) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-1,2,4-triazole
PubChem CID3505425
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name1-naphthalen-2-ylsulfonyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cncn1
InChIInChI=1S/C12H9N3O2S/c16-18(17,15-9-13-8-14-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyNDSYTLJMOZFEGX-UHFFFAOYSA-N
XLogP1.67
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-naphthalen-2-ylsulfonyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
N-(4H-1,2,4-triazol-4-yl)-2-naphthalenesulfonamide
CID 1477519
N~3~,N~3~,N~5~,N~5~-tetramethyl-1-(2-naphthylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
CID 4365102
N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51079165
N-(5-amino-1h-1,2,4-triazol-3-yl)naphthalene-2-sulfonamide
CID 12113225
N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 126833886
4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 132969830
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide
CID 2078762
1-((1-((5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl)azetidin-3-yl)methyl)-1H-1,2,4-triazole
CID 131703794
4-(4-Methylphenyl)sulfonyl-1,2,4-triazole
CID 15356829

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-1,2,4-triazole?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-1,2,4-triazole (CID 3505425) is 1-naphthalen-2-ylsulfonyl-1,2,4-triazole.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-1,2,4-triazole?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-1,2,4-triazole is O=S(=O)(c1ccc2ccccc2c1)n1cncn1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-1,2,4-triazole?
The InChIKey is NDSYTLJMOZFEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-18(17,15-9-13-8-14-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H.
What are the key properties of 1-naphthalen-2-ylsulfonyl-1,2,4-triazole?
1-naphthalen-2-ylsulfonyl-1,2,4-triazole has a molecular weight of 259.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-1,2,4-triazole is sourced from PubChem (CID 3505425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).