4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C14H12N6O3S — CID 70693779

IUPAC4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1
InChIInChI=1S/C14H12N6O3S/c15-24(22,23)12-4-1-10(2-5-12)14(21)19-11-3-6-13(17-7-11)20-9-16-8-18-20/h1-9H,(H,19,21)(H2,15,22,23)
InChIKeyZGITYFPEAJEDQJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.56
Rot. Bonds4

About 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 70693779) has the molecular formula C14H12N6O3S and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID70693779
Molecular FormulaC14H12N6O3S
Molecular Weight344.36 g/mol
Exact Mass344.07
IUPAC Name4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1
InChIInChI=1S/C14H12N6O3S/c15-24(22,23)12-4-1-10(2-5-12)14(21)19-11-3-6-13(17-7-11)20-9-16-8-18-20/h1-9H,(H,19,21)(H2,15,22,23)
InChIKeyZGITYFPEAJEDQJ-UHFFFAOYSA-N
XLogP0.56
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 70693779) is 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1.
What is the InChIKey of 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is ZGITYFPEAJEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3S/c15-24(22,23)12-4-1-10(2-5-12)14(21)19-11-3-6-13(17-7-11)20-9-16-8-18-20/h1-9H,(H,19,21)(H2,15,22,23).
What are the key properties of 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 344.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 70693779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).