N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide

C13H8FN3OS — CID 17015090

IUPACN-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nnsc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-2-1-3-10(7-9)15-13(18)8-4-5-11-12(6-8)19-17-16-11/h1-7H,(H,15,18)
InChIKeyFRYWPUNUNPGYSF-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

About N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide

N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide (PubChem CID 17015090) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide
PubChem CID17015090
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nnsc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-2-1-3-10(7-9)15-13(18)8-4-5-11-12(6-8)19-17-16-11/h1-7H,(H,15,18)
InChIKeyFRYWPUNUNPGYSF-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-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide (CID 17015090) is N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2nnsc2c1.
What is the InChIKey of N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide?
The InChIKey is FRYWPUNUNPGYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-9-2-1-3-10(7-9)15-13(18)8-4-5-11-12(6-8)19-17-16-11/h1-7H,(H,15,18).
What are the key properties of N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide?
N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide 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-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide is sourced from PubChem (CID 17015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).