N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide

C17H10ClN3O2S — CID 2273874

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H10ClN3O2S/c18-11-4-1-3-10(9-11)14-7-8-15(23-14)17(22)19-12-5-2-6-13-16(12)21-24-20-13/h1-9H,(H,19,22)
InChIKeyIPTGRSACOGFTEC-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.86
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 2273874) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID2273874
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H10ClN3O2S/c18-11-4-1-3-10(9-11)14-7-8-15(23-14)17(22)19-12-5-2-6-13-16(12)21-24-20-13/h1-9H,(H,19,22)
InChIKeyIPTGRSACOGFTEC-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide (CID 2273874) is N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is IPTGRSACOGFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-11-4-1-3-10(9-11)14-7-8-15(23-14)17(22)19-12-5-2-6-13-16(12)21-24-20-13/h1-9H,(H,19,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 4.86, 3 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)-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2273874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).