N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide

C12H10N4O2S — CID 1477519

IUPACN-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc2ccccc2c1
InChIInChI=1S/C12H10N4O2S/c17-19(18,15-16-8-13-14-9-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H
InChIKeyRSCHPAPXQXYYGC-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.36
Rot. Bonds3

About N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide

N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide (PubChem CID 1477519) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide
PubChem CID1477519
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc2ccccc2c1
InChIInChI=1S/C12H10N4O2S/c17-19(18,15-16-8-13-14-9-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H
InChIKeyRSCHPAPXQXYYGC-UHFFFAOYSA-N
XLogP1.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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~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
5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole
CID 66561832
N-(5-amino-1h-1,2,4-triazol-3-yl)naphthalene-2-sulfonamide
CID 12113225
2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 797067
N~2~-methyl-N~2~-(2-naphthylsulfonyl)-N~1~-4H-1,2,4-triazol-4-ylglycinamide
CID 973257
1-(2-naphthylsulfonyl)-1H-1,2,4-triazole
CID 3505425
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

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide (CID 1477519) is N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide is O=S(=O)(Nn1cnnc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide?
The InChIKey is RSCHPAPXQXYYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-19(18,15-16-8-13-14-9-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H.
What are the key properties of N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide?
N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 1477519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).