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

C13H8FN3OS — CID 17099097

IUPACN-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nsnc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-2-1-3-10(7-9)15-13(18)8-4-5-11-12(6-8)17-19-16-11/h1-7H,(H,15,18)
InChIKeyQBKPXLCHEWINTI-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

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

N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 17099097) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID17099097
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2nsnc2c1
InChIInChI=1S/C13H8FN3OS/c14-9-2-1-3-10(7-9)15-13(18)8-4-5-11-12(6-8)17-19-16-11/h1-7H,(H,15,18)
InChIKeyQBKPXLCHEWINTI-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-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-(4-acetamidophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2037551
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
N-(4-fluoro-3-nitrophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099336
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 17099097) is N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2nsnc2c1.
What is the InChIKey of N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is QBKPXLCHEWINTI-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)17-19-16-11/h1-7H,(H,15,18).
What are the key properties of N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(3-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-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 17099097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).