4-fluoro-1,2,3-benzothiadiazole-6-carboxamide

C7H4FN3OS — CID 140661802

IUPAC4-fluoro-1,2,3-benzothiadiazole-6-carboxamide
SMILESNC(=O)c1cc(F)c2nnsc2c1
InChIInChI=1S/C7H4FN3OS/c8-4-1-3(7(9)12)2-5-6(4)10-11-13-5/h1-2H,(H2,9,12)
InChIKeyZDXINDHMRJKXPU-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.93
Rot. Bonds1

About 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide

4-fluoro-1,2,3-benzothiadiazole-6-carboxamide (PubChem CID 140661802) has the molecular formula C7H4FN3OS and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide.

Molecular Properties

Compound Name4-fluoro-1,2,3-benzothiadiazole-6-carboxamide
PubChem CID140661802
Molecular FormulaC7H4FN3OS
Molecular Weight197.19 g/mol
Exact Mass197.01
IUPAC Name4-fluoro-1,2,3-benzothiadiazole-6-carboxamide
SMILESNC(=O)c1cc(F)c2nnsc2c1
InChIInChI=1S/C7H4FN3OS/c8-4-1-3(7(9)12)2-5-6(4)10-11-13-5/h1-2H,(H2,9,12)
InChIKeyZDXINDHMRJKXPU-UHFFFAOYSA-N
XLogP0.93
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1,2,3-benzothiadiazole-6-carboxamide
CID 2726714
Benzothiadiazole carbaldehyde
CID 14855317
N-(3-fluorophenyl)-1,2,3-benzothiadiazole-6-carboxamide
CID 17015090
N-butyl-1,2,3-benzothiadiazole-6-carboxamide
CID 17015087
N-propyl-1,2,3-benzothiadiazole-6-carboxamide
CID 27234829
1-(1,2,3-Benzothiadiazol-4-yl)ethanone
CID 20096440
Benzo[1,2,3]thiadiazole-5-carboxylic acid amide
CID 20680261
Benzo-1,2,3-thiadiazole-7-carboxylic acid amide
CID 22403364
1,2,3-Benzothiadiazole-4,6-dicarbaldehyde
CID 53917159
Benzo[d][1,2,3]thiadiazole-6-carbaldehyde
CID 54104815
1,2,3-Benzothiadiazole-4-carboxamide
CID 54111767
1,2,3-benzothiadiazole-4-carbothioic S-acid
CID 54266356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide?
The IUPAC name of 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide (CID 140661802) is 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide.
What is the SMILES notation for 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide?
The canonical SMILES for 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide is NC(=O)c1cc(F)c2nnsc2c1.
What is the InChIKey of 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide?
The InChIKey is ZDXINDHMRJKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3OS/c8-4-1-3(7(9)12)2-5-6(4)10-11-13-5/h1-2H,(H2,9,12).
What are the key properties of 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide?
4-fluoro-1,2,3-benzothiadiazole-6-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3-benzothiadiazole-6-carboxamide is sourced from PubChem (CID 140661802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).