N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide

C13H7BrFN3OS — CID 3929537

IUPACN-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc2nsnc2cc1Br)c1ccc(F)cc1
InChIInChI=1S/C13H7BrFN3OS/c14-9-5-11-12(18-20-17-11)6-10(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19)
InChIKeyZYFJVWLSZOOPLG-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.85
Rot. Bonds2

About N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide

N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide (PubChem CID 3929537) has the molecular formula C13H7BrFN3OS and a molecular weight of 352.19 g/mol. Its IUPAC name is N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide
PubChem CID3929537
Molecular FormulaC13H7BrFN3OS
Molecular Weight352.19 g/mol
Exact Mass350.95
IUPAC NameN-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc2nsnc2cc1Br)c1ccc(F)cc1
InChIInChI=1S/C13H7BrFN3OS/c14-9-5-11-12(18-20-17-11)6-10(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19)
InChIKeyZYFJVWLSZOOPLG-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-2-fluorobenzamide
CID 4713731
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313577
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide (CID 3929537) is N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide is O=C(Nc1cc2nsnc2cc1Br)c1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide?
The InChIKey is ZYFJVWLSZOOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3OS/c14-9-5-11-12(18-20-17-11)6-10(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19).
What are the key properties of N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide?
N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide has a molecular weight of 352.19 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-4-fluorobenzamide is sourced from PubChem (CID 3929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).