N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C14H13N7O3S2 — CID 2197372

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H13N7O3S2/c22-12(8-25-14-17-9-18-20-14)19-10-2-4-11(5-3-10)26(23,24)21-13-15-6-1-7-16-13/h1-7,9H,8H2,(H,19,22)(H,15,16,21)(H,17,18,20)
InChIKeyQEESRXJJXQEWQU-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.13
Rot. Bonds7

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2197372) has the molecular formula C14H13N7O3S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2197372
Molecular FormulaC14H13N7O3S2
Molecular Weight391.44 g/mol
Exact Mass391.05
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H13N7O3S2/c22-12(8-25-14-17-9-18-20-14)19-10-2-4-11(5-3-10)26(23,24)21-13-15-6-1-7-16-13/h1-7,9H,8H2,(H,19,22)(H,15,16,21)(H,17,18,20)
InChIKeyQEESRXJJXQEWQU-UHFFFAOYSA-N
XLogP1.13
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2197372) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is QEESRXJJXQEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O3S2/c22-12(8-25-14-17-9-18-20-14)19-10-2-4-11(5-3-10)26(23,24)21-13-15-6-1-7-16-13/h1-7,9H,8H2,(H,19,22)(H,15,16,21)(H,17,18,20).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 391.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2197372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).