N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide

C73H40Cl6F3N15O4S4 — CID 159382240

About N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide

N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide (PubChem CID 159382240) has the molecular formula C73H40Cl6F3N15O4S4 and a molecular weight of 1589.20 g/mol. Its IUPAC name is N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide
• PubChem CID: 159382240
• Molecular Formula: C73H40Cl6F3N15O4S4
• Molecular Weight: 1589.20 g/mol
• Exact Mass: 1585.04
• IUPAC Name: N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3scnc3cc2Cl)cn1)c1ccccc1Cl
• InChI: InChI=1S/C19H11Cl2N3OS.C18H10Cl2N4OS.C18H9ClF2N4OS.C18H10ClFN4OS/c20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-17-16(8-15(13)21)23-10-26-17;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21;19-13-8-16-15(23-26-24-16)7-12(13)10-5-6-17(21-9-10)22-18(25)11-3-1-2-4-14(11)20/h1-10H,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26);1-9H,(H,21,22,25)
• InChIKey: LLBFEZSPCWMYCK-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 258.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.20
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide?

The IUPAC name of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide (CID 159382240) is N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide?

The canonical SMILES for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3scnc3cc2Cl)cn1)c1ccccc1Cl.

What is the InChIKey of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide?

The InChIKey is LLBFEZSPCWMYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3OS.C18H10Cl2N4OS.C18H9ClF2N4OS.C18H10ClFN4OS/c20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-17-16(8-15(13)21)23-10-26-17;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21;19-13-8-16-15(23-26-24-16)7-12(13)10-5-6-17(21-9-10)22-18(25)11-3-1-2-4-14(11)20/h1-10H,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26);1-9H,(H,21,22,25).

What are the key properties of N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide?

N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide has a molecular weight of 1589.20 g/mol, XLogP of 20.97, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159382240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).