N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide

C13H9N5O2S2 — CID 2078762

IUPACN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nn2cnnc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C13H9N5O2S2/c19-22(20,17-12-16-18-8-14-15-13(18)21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17)
InChIKeyXMTZRVQGNKAGET-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.14
Rot. Bonds3

About N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide

N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide (PubChem CID 2078762) has the molecular formula C13H9N5O2S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide
PubChem CID2078762
Molecular FormulaC13H9N5O2S2
Molecular Weight331.38 g/mol
Exact Mass331.02
IUPAC NameN-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nn2cnnc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C13H9N5O2S2/c19-22(20,17-12-16-18-8-14-15-13(18)21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17)
InChIKeyXMTZRVQGNKAGET-UHFFFAOYSA-N
XLogP2.14
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide (CID 2078762) is N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1nn2cnnc2s1)c1ccc2ccccc2c1.
What is the InChIKey of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide?
The InChIKey is XMTZRVQGNKAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S2/c19-22(20,17-12-16-18-8-14-15-13(18)21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17).
What are the key properties of N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide?
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2078762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).