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

C11H5BrClN3O2S — CID 2995137

IUPAC5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)o1
InChIInChI=1S/C11H5BrClN3O2S/c12-8-4-3-7(18-8)11(17)14-9-5(13)1-2-6-10(9)16-19-15-6/h1-4H,(H,14,17)
InChIKeyWTANEXPVLOMJNW-UHFFFAOYSA-N
MW358.60 g/mol
LogP3.95
Rot. Bonds2

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

5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (PubChem CID 2995137) has the molecular formula C11H5BrClN3O2S and a molecular weight of 358.60 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
PubChem CID2995137
Molecular FormulaC11H5BrClN3O2S
Molecular Weight358.60 g/mol
Exact Mass356.90
IUPAC Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)o1
InChIInChI=1S/C11H5BrClN3O2S/c12-8-4-3-7(18-8)11(17)14-9-5(13)1-2-6-10(9)16-19-15-6/h1-4H,(H,14,17)
InChIKeyWTANEXPVLOMJNW-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide
CID 1952616
N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
CID 1839395
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2034766
Cambridge id 6172553
CID 875336
Cambridge id 6226855
CID 711913
5-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216170
5-bromo-N-[2-(4-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1047501
N-(2,1,3-benzoxadiazol-4-yl)-5-bromofuran-2-carboxamide
CID 1512169
5-bromo-N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]furan-2-carboxamide
CID 4495550
(5-bromo(2-furyl))-N-(6-chloro-2-phenyl(2-hydrobenzotriazol-5-yl))carboxamide
CID 4501889
5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 17274343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (CID 2995137) is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The InChIKey is WTANEXPVLOMJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClN3O2S/c12-8-4-3-7(18-8)11(17)14-9-5(13)1-2-6-10(9)16-19-15-6/h1-4H,(H,14,17).
What are the key properties of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide has a molecular weight of 358.60 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 2995137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).