5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide

C27H16Cl2F3N3O5S2 — CID 150748595

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide (PubChem CID 150748595) has the molecular formula C27H16Cl2F3N3O5S2 and a molecular weight of 654.48 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide
• PubChem CID: 150748595
• Molecular Formula: C27H16Cl2F3N3O5S2
• Molecular Weight: 654.48 g/mol
• Exact Mass: 652.99
• IUPAC Name: 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide
• SMILES: O=C(Nc1ccc(Oc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C27H16Cl2F3N3O5S2/c28-15-1-9-20(10-2-15)42(37,38)35-22-11-3-16(29)13-21(22)25(36)33-17-4-6-18(7-5-17)39-26-34-23-12-8-19(14-24(23)41-26)40-27(30,31)32/h1-14,35H,(H,33,36)
• InChIKey: JVJLDOORXNCJIG-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 106.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.48
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?

The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide (CID 150748595) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide.

What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?

The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?

The InChIKey is JVJLDOORXNCJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2F3N3O5S2/c28-15-1-9-20(10-2-15)42(37,38)35-22-11-3-16(29)13-21(22)25(36)33-17-4-6-18(7-5-17)39-26-34-23-12-8-19(14-24(23)41-26)40-27(30,31)32/h1-14,35H,(H,33,36).

What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide?

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide has a molecular weight of 654.48 g/mol, XLogP of 8.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide is sourced from PubChem (CID 150748595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).