N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide

C26H20Cl2N6O3S — CID 44623629

IUPACN-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3c(-c4ccc(NS(=O)(=O)c5cc(Cl)cc(Cl)c5)cc4)cccn3n2)cc1
InChIInChI=1S/C26H20Cl2N6O3S/c1-16(35)29-20-8-10-21(11-9-20)30-26-31-25-24(3-2-12-34(25)32-26)17-4-6-22(7-5-17)33-38(36,37)23-14-18(27)13-19(28)15-23/h2-15,33H,1H3,(H,29,35)(H,30,32)
InChIKeyHDFVJQBSPBVBBY-UHFFFAOYSA-N
MW567.46 g/mol
LogP6.21
Rot. Bonds7

About N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide

N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide (PubChem CID 44623629) has the molecular formula C26H20Cl2N6O3S and a molecular weight of 567.46 g/mol. Its IUPAC name is N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
PubChem CID44623629
Molecular FormulaC26H20Cl2N6O3S
Molecular Weight567.46 g/mol
Exact Mass566.07
IUPAC NameN-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3c(-c4ccc(NS(=O)(=O)c5cc(Cl)cc(Cl)c5)cc4)cccn3n2)cc1
InChIInChI=1S/C26H20Cl2N6O3S/c1-16(35)29-20-8-10-21(11-9-20)30-26-31-25-24(3-2-12-34(25)32-26)17-4-6-22(7-5-17)33-38(36,37)23-14-18(27)13-19(28)15-23/h2-15,33H,1H3,(H,29,35)(H,30,32)
InChIKeyHDFVJQBSPBVBBY-UHFFFAOYSA-N
XLogP6.21
TPSA117.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.46
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]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-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide (CID 44623629) is N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc3c(-c4ccc(NS(=O)(=O)c5cc(Cl)cc(Cl)c5)cc4)cccn3n2)cc1.
What is the InChIKey of N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
The InChIKey is HDFVJQBSPBVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N6O3S/c1-16(35)29-20-8-10-21(11-9-20)30-26-31-25-24(3-2-12-34(25)32-26)17-4-6-22(7-5-17)33-38(36,37)23-14-18(27)13-19(28)15-23/h2-15,33H,1H3,(H,29,35)(H,30,32).
What are the key properties of N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide?
N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide has a molecular weight of 567.46 g/mol, XLogP of 6.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 44623629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).