N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide

C12H6ClFN4OS — CID 86782684

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cncc(F)c1
InChIInChI=1S/C12H6ClFN4OS/c13-8-1-2-9-11(18-20-17-9)10(8)16-12(19)6-3-7(14)5-15-4-6/h1-5H,(H,16,19)
InChIKeyCEOIMRJEXQOOBK-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.13
Rot. Bonds2

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 86782684) has the molecular formula C12H6ClFN4OS and a molecular weight of 308.73 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
PubChem CID86782684
Molecular FormulaC12H6ClFN4OS
Molecular Weight308.73 g/mol
Exact Mass307.99
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cncc(F)c1
InChIInChI=1S/C12H6ClFN4OS/c13-8-1-2-9-11(18-20-17-9)10(8)16-12(19)6-3-7(14)5-15-4-6/h1-5H,(H,16,19)
InChIKeyCEOIMRJEXQOOBK-UHFFFAOYSA-N
XLogP3.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzo[1,2,5]thiadiazol-4-yl-nicotinamide
CID 767617
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 2038732
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 1977363
Sdccgsbi-0662553.P001
CID 134791402
N-(2,1,3-benzothiadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 2041344
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 1071621
2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide
CID 68794745
7-chloro-N-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 85834371
5-Chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 118002287
7-Chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 134369516
N-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 141736589
US20240316047, Example 330
CID 169144757

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide (CID 86782684) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cncc(F)c1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is CEOIMRJEXQOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN4OS/c13-8-1-2-9-11(18-20-17-9)10(8)16-12(19)6-3-7(14)5-15-4-6/h1-5H,(H,16,19).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 308.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 86782684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).