N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide

C26H22N8O6S2 — CID 155193892

IUPACN-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(S(=O)(=O)NC(C)=O)cc5)nn4)c3)nn2)cc1
InChIInChI=1S/C26H22N8O6S2/c1-17(35)29-41(37,38)23-10-6-21(7-11-23)33-15-25(27-31-33)19-4-3-5-20(14-19)26-16-34(32-28-26)22-8-12-24(13-9-22)42(39,40)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)
InChIKeyRLWXJHIDCOOSSH-UHFFFAOYSA-N
MW606.65 g/mol
LogP1.83
Rot. Bonds8

About N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide

N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide (PubChem CID 155193892) has the molecular formula C26H22N8O6S2 and a molecular weight of 606.65 g/mol. Its IUPAC name is N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide
PubChem CID155193892
Molecular FormulaC26H22N8O6S2
Molecular Weight606.65 g/mol
Exact Mass606.11
IUPAC NameN-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(S(=O)(=O)NC(C)=O)cc5)nn4)c3)nn2)cc1
InChIInChI=1S/C26H22N8O6S2/c1-17(35)29-41(37,38)23-10-6-21(7-11-23)33-15-25(27-31-33)19-4-3-5-20(14-19)26-16-34(32-28-26)22-8-12-24(13-9-22)42(39,40)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)
InChIKeyRLWXJHIDCOOSSH-UHFFFAOYSA-N
XLogP1.83
TPSA187.90 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide 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-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide (CID 155193892) is N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(S(=O)(=O)NC(C)=O)cc5)nn4)c3)nn2)cc1.
What is the InChIKey of N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide?
The InChIKey is RLWXJHIDCOOSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O6S2/c1-17(35)29-41(37,38)23-10-6-21(7-11-23)33-15-25(27-31-33)19-4-3-5-20(14-19)26-16-34(32-28-26)22-8-12-24(13-9-22)42(39,40)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36).
What are the key properties of N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide?
N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide has a molecular weight of 606.65 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 155193892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).