2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide

C19H15N5O3S2 — CID 20856812

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)
InChIKeyADRNPUSZBRQDBG-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.74
Rot. Bonds6

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide (PubChem CID 20856812) has the molecular formula C19H15N5O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide
PubChem CID20856812
Molecular FormulaC19H15N5O3S2
Molecular Weight425.50 g/mol
Exact Mass425.06
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)
InChIKeyADRNPUSZBRQDBG-UHFFFAOYSA-N
XLogP2.74
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide (CID 20856812) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide?
The InChIKey is ADRNPUSZBRQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide has a molecular weight of 425.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 20856812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).