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

C13H7F2N3OS — CID 974358

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(F)cc1F
InChIInChI=1S/C13H7F2N3OS/c14-7-4-5-8(9(15)6-7)13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-6H,(H,16,19)
InChIKeyCQJNWQLSZRUHAK-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.22
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide (PubChem CID 974358) has the molecular formula C13H7F2N3OS and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide
PubChem CID974358
Molecular FormulaC13H7F2N3OS
Molecular Weight291.28 g/mol
Exact Mass291.03
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(F)cc1F
InChIInChI=1S/C13H7F2N3OS/c14-7-4-5-8(9(15)6-7)13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-6H,(H,16,19)
InChIKeyCQJNWQLSZRUHAK-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide (CID 974358) is N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide is O=C(Nc1cccc2nsnc12)c1ccc(F)cc1F.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide?
The InChIKey is CQJNWQLSZRUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3OS/c14-7-4-5-8(9(15)6-7)13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-6H,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-2,4-difluorobenzamide has a molecular weight of 291.28 g/mol, XLogP of 3.22, 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)-2,4-difluorobenzamide is sourced from PubChem (CID 974358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).