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

C17H10BrN3O2S — CID 1372159

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H10BrN3O2S/c18-11-6-4-10(5-7-11)14-8-9-15(23-14)17(22)19-12-2-1-3-13-16(12)21-24-20-13/h1-9H,(H,19,22)
InChIKeyJDLVXRIHBQJQAX-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.97
Rot. Bonds3

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

N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 1372159) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID1372159
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H10BrN3O2S/c18-11-6-4-10(5-7-11)14-8-9-15(23-14)17(22)19-12-2-1-3-13-16(12)21-24-20-13/h1-9H,(H,19,22)
InChIKeyJDLVXRIHBQJQAX-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 31374291
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573690
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
5-(3-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2890095
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
CID 51064565
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 71459570
4-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid
CID 28669670
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17093131
N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide (CID 1372159) is N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is JDLVXRIHBQJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-11-6-4-10(5-7-11)14-8-9-15(23-14)17(22)19-12-2-1-3-13-16(12)21-24-20-13/h1-9H,(H,19,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 400.26 g/mol, XLogP of 4.97, 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-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 1372159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).