N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide

C15H9N3O2S — CID 875210

IUPACN-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cc2ccccc2o1
InChIInChI=1S/C15H9N3O2S/c19-15(13-8-9-4-1-2-7-12(9)20-13)16-10-5-3-6-11-14(10)18-21-17-11/h1-8H,(H,16,19)
InChIKeyYGAASGDZWVBXMS-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.69
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 875210) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide
PubChem CID875210
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cc2ccccc2o1
InChIInChI=1S/C15H9N3O2S/c19-15(13-8-9-4-1-2-7-12(9)20-13)16-10-5-3-6-11-14(10)18-21-17-11/h1-8H,(H,16,19)
InChIKeyYGAASGDZWVBXMS-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
5-(2,5-dichlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 1334850
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1372159
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2273874
N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 4584930
N-[6-Methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-YL]-5-phenylfuran-2-carboxamide
CID 15991067
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
CID 2164520
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 2871912
3-methyl-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1047480
3,5-dimethyl-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1047522

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide (CID 875210) is N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide is O=C(Nc1cccc2nsnc12)c1cc2ccccc2o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YGAASGDZWVBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-15(13-8-9-4-1-2-7-12(9)20-13)16-10-5-3-6-11-14(10)18-21-17-11/h1-8H,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 875210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).