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

C11H6BrN3O2S — CID 875336

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(Br)o1
InChIInChI=1S/C11H6BrN3O2S/c12-9-5-4-8(17-9)11(16)13-6-2-1-3-7-10(6)15-18-14-7/h1-5H,(H,13,16)
InChIKeyQTZGNISGYPUWRR-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.30
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide (PubChem CID 875336) has the molecular formula C11H6BrN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide
PubChem CID875336
Molecular FormulaC11H6BrN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.94
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(Br)o1
InChIInChI=1S/C11H6BrN3O2S/c12-9-5-4-8(17-9)11(16)13-6-2-1-3-7-10(6)15-18-14-7/h1-5H,(H,13,16)
InChIKeyQTZGNISGYPUWRR-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1372159
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2034766
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
5-bromo-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 1363275
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2995137
N-(2,1,3-benzothiadiazol-5-yl)-2-{4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl}acetamide
CID 17148997
N-(furan-2-ylmethyl)-2,1,3-benzothiadiazol-5-amine
CID 145978785
Cambridge id 6226855
CID 711913
N-(2,1,3-benzothiadiazol-4-yl)-1-benzofuran-2-carboxamide
CID 875210
N-(2,1,3-benzoxadiazol-4-yl)furan-2-carboxamide
CID 1512168

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide (CID 875336) is N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(Br)o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide?
The InChIKey is QTZGNISGYPUWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2S/c12-9-5-4-8(17-9)11(16)13-6-2-1-3-7-10(6)15-18-14-7/h1-5H,(H,13,16).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-bromofuran-2-carboxamide has a molecular weight of 324.16 g/mol, XLogP of 3.30, 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)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 875336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).