N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide

C13H8FN3OS — CID 798045

IUPACN-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nsnc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11-12(7-8)17-19-16-11/h1-7H,(H,15,18)
InChIKeyPFTMLYJUVJSKEA-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

About N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 798045) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID798045
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nsnc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11-12(7-8)17-19-16-11/h1-7H,(H,15,18)
InChIKeyPFTMLYJUVJSKEA-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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Related Compounds

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121148662
2-(2,1,3-benzothiadiazole-5-carbonylamino)benzoate
CID 6919302
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981
N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099097
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71810626
N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313577
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 798045) is N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1ccccc1F)c1ccc2nsnc2c1.
What is the InChIKey of N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is PFTMLYJUVJSKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11-12(7-8)17-19-16-11/h1-7H,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-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-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 798045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).