2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide

C22H18N6O3S2 — CID 163283543

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
SMILESCn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nsnc34)c3ccccc3)cccc21
InChIInChI=1S/C22H18N6O3S2/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29)
InChIKeyHRDGFDKUBVUEHK-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide (PubChem CID 163283543) has the molecular formula C22H18N6O3S2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
PubChem CID163283543
Molecular FormulaC22H18N6O3S2
Molecular Weight478.56 g/mol
Exact Mass478.09
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
SMILESCn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nsnc34)c3ccccc3)cccc21
InChIInChI=1S/C22H18N6O3S2/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29)
InChIKeyHRDGFDKUBVUEHK-UHFFFAOYSA-N
XLogP3.24
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide 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 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide (CID 163283543) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide is Cn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nsnc34)c3ccccc3)cccc21.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The InChIKey is HRDGFDKUBVUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3S2/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide has a molecular weight of 478.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide is sourced from PubChem (CID 163283543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).