N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide

C15H11N3O2S — CID 707560

IUPACN-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3snnc3c2)cc1
InChIInChI=1S/C15H11N3O2S/c1-9(19)10-2-5-12(6-3-10)16-15(20)11-4-7-14-13(8-11)17-18-21-14/h2-8H,1H3,(H,16,20)
InChIKeyRUTLKACRHUXNIN-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.15
Rot. Bonds3

About N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide

N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 707560) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID707560
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3snnc3c2)cc1
InChIInChI=1S/C15H11N3O2S/c1-9(19)10-2-5-12(6-3-10)16-15(20)11-4-7-14-13(8-11)17-18-21-14/h2-8H,1H3,(H,16,20)
InChIKeyRUTLKACRHUXNIN-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide (CID 707560) is N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3snnc3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is RUTLKACRHUXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-9(19)10-2-5-12(6-3-10)16-15(20)11-4-7-14-13(8-11)17-18-21-14/h2-8H,1H3,(H,16,20).
What are the key properties of N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide?
N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 707560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).