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

C13H8FN3OS — CID 836470

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccccc1F
InChIInChI=1S/C13H8FN3OS/c14-9-5-2-1-4-8(9)13(18)15-10-6-3-7-11-12(10)17-19-16-11/h1-7H,(H,15,18)
InChIKeyAUUQWDPRUJBBQG-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide (PubChem CID 836470) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
PubChem CID836470
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccccc1F
InChIInChI=1S/C13H8FN3OS/c14-9-5-2-1-4-8(9)13(18)15-10-6-3-7-11-12(10)17-19-16-11/h1-7H,(H,15,18)
InChIKeyAUUQWDPRUJBBQG-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide (CID 836470) is N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide is O=C(Nc1cccc2nsnc12)c1ccccc1F.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The InChIKey is AUUQWDPRUJBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-9-5-2-1-4-8(9)13(18)15-10-6-3-7-11-12(10)17-19-16-11/h1-7H,(H,15,18).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide has a molecular weight of 273.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 836470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).