1-[2-(sulfamoylamino)phenyl]triazole

C8H9N5O2S — CID 112573317

IUPAC1-[2-(sulfamoylamino)phenyl]triazole
SMILESNS(=O)(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C8H9N5O2S/c9-16(14,15)11-7-3-1-2-4-8(7)13-6-5-10-12-13/h1-6,11H,(H2,9,14,15)
InChIKeyLGBKZAAWMAKGBZ-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.12
Rot. Bonds3

About 1-[2-(sulfamoylamino)phenyl]triazole

1-[2-(sulfamoylamino)phenyl]triazole (PubChem CID 112573317) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[2-(sulfamoylamino)phenyl]triazole.

Molecular Properties

Compound Name1-[2-(sulfamoylamino)phenyl]triazole
PubChem CID112573317
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name1-[2-(sulfamoylamino)phenyl]triazole
SMILESNS(=O)(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C8H9N5O2S/c9-16(14,15)11-7-3-1-2-4-8(7)13-6-5-10-12-13/h1-6,11H,(H2,9,14,15)
InChIKeyLGBKZAAWMAKGBZ-UHFFFAOYSA-N
XLogP-0.12
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(sulfamoylamino)phenyl]triazole?
The IUPAC name of 1-[2-(sulfamoylamino)phenyl]triazole (CID 112573317) is 1-[2-(sulfamoylamino)phenyl]triazole.
What is the SMILES notation for 1-[2-(sulfamoylamino)phenyl]triazole?
The canonical SMILES for 1-[2-(sulfamoylamino)phenyl]triazole is NS(=O)(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 1-[2-(sulfamoylamino)phenyl]triazole?
The InChIKey is LGBKZAAWMAKGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c9-16(14,15)11-7-3-1-2-4-8(7)13-6-5-10-12-13/h1-6,11H,(H2,9,14,15).
What are the key properties of 1-[2-(sulfamoylamino)phenyl]triazole?
1-[2-(sulfamoylamino)phenyl]triazole has a molecular weight of 239.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(sulfamoylamino)phenyl]triazole is sourced from PubChem (CID 112573317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).