2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide

C8H9N5O2S — CID 61176788

IUPAC2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
SMILESNc1ncn(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C8H9N5O2S/c9-8-11-5-13(12-8)6-3-1-2-4-7(6)16(10,14)15/h1-5H,(H2,9,12)(H2,10,14,15)
InChIKeyKCEFMLDPQNWPMZ-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.50
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide

2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide (PubChem CID 61176788) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
PubChem CID61176788
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
SMILESNc1ncn(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C8H9N5O2S/c9-8-11-5-13(12-8)6-3-1-2-4-7(6)16(10,14)15/h1-5H,(H2,9,12)(H2,10,14,15)
InChIKeyKCEFMLDPQNWPMZ-UHFFFAOYSA-N
XLogP-0.50
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide (CID 61176788) is 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide is Nc1ncn(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide?
The InChIKey is KCEFMLDPQNWPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c9-8-11-5-13(12-8)6-3-1-2-4-7(6)16(10,14)15/h1-5H,(H2,9,12)(H2,10,14,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide?
2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 61176788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).