4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide

C13H13N7O2S — CID 20820288

IUPAC4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1nc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n[nH]1
InChIInChI=1S/C13H13N7O2S/c14-12-17-13(19-18-12)16-9-4-6-10(7-5-9)23(21,22)20-11-3-1-2-8-15-11/h1-8H,(H,15,20)(H4,14,16,17,18,19)
InChIKeyILDAHMOJBSWIEC-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.33
Rot. Bonds5

About 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide

4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 20820288) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID20820288
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1nc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n[nH]1
InChIInChI=1S/C13H13N7O2S/c14-12-17-13(19-18-12)16-9-4-6-10(7-5-9)23(21,22)20-11-3-1-2-8-15-11/h1-8H,(H,15,20)(H4,14,16,17,18,19)
InChIKeyILDAHMOJBSWIEC-UHFFFAOYSA-N
XLogP1.33
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide (CID 20820288) is 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide is Nc1nc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n[nH]1.
What is the InChIKey of 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ILDAHMOJBSWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-12-17-13(19-18-12)16-9-4-6-10(7-5-9)23(21,22)20-11-3-1-2-8-15-11/h1-8H,(H,15,20)(H4,14,16,17,18,19).
What are the key properties of 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 20820288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).