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

C13H8FN3OS — CID 661175

IUPACN-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3OS/c14-9-6-4-8(5-7-9)13(18)15-10-2-1-3-11-12(10)17-19-16-11/h1-7H,(H,15,18)
InChIKeyZSUQMWFHCBLNAL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide (PubChem CID 661175) 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)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
PubChem CID661175
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3OS/c14-9-6-4-8(5-7-9)13(18)15-10-2-1-3-11-12(10)17-19-16-11/h1-7H,(H,15,18)
InChIKeyZSUQMWFHCBLNAL-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

1-Benzoyl-1H-benzotriazole
CID 570059
1-(4-Fluorobenzoyl)-1H-benzotriazole
CID 785793
N-(2,4-dimethylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 24789803
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-[4-(dimethylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 753013
Benzotriazol-1-yl-(3-fluorophenyl)methanone
CID 807814
N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-4-methylbenzamide
CID 880426
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 684863
N-(3-nitrophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 1238373
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
CID 2929233
benzo[c]1,2,5-thiadiazol-5-yl-N-(2,3-dimethylphenyl)carboxamide
CID 675325
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
CID 708668

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide (CID 661175) is N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide is O=C(Nc1cccc2nsnc12)c1ccc(F)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The InChIKey is ZSUQMWFHCBLNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-9-6-4-8(5-7-9)13(18)15-10-2-1-3-11-12(10)17-19-16-11/h1-7H,(H,15,18).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-4-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)-4-fluorobenzamide is sourced from PubChem (CID 661175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).