N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone

C41H25Cl6F6N7O7S2 — CID 161469453

About N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone

N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone (PubChem CID 161469453) has the molecular formula C41H25Cl6F6N7O7S2 and a molecular weight of 1118.53 g/mol. Its IUPAC name is N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone.

Molecular Properties

• Compound Name: N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone
• PubChem CID: 161469453
• Molecular Formula: C41H25Cl6F6N7O7S2
• Molecular Weight: 1118.53 g/mol
• Exact Mass: 1114.93
• IUPAC Name: N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone
• SMILES: C=C=O.Nc1cccc(Cl)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C1Nc2cccc(Cl)c2C(c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)N1
• InChI: InChI=1S/C20H12Cl3F3N4O3S.C19H11Cl3F3N3O3S.C2H2O/c21-9-6-15(30-34(32,33)10-4-5-12(22)11(7-10)20(24,25)26)17(27-8-9)18-16-13(23)2-1-3-14(16)28-19(31)29-18;20-9-6-15(17(27-8-9)18(29)16-13(22)2-1-3-14(16)26)28-32(30,31)10-4-5-12(21)11(7-10)19(23,24)25;1-2-3/h1-8,18,30H,(H2,28,29,31);1-8,28H,26H2;1H2
• InChIKey: WCWLZOWNXBILST-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 219.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1118.53
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone?

The IUPAC name of N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone (CID 161469453) is N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone.

What is the SMILES notation for N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone?

The canonical SMILES for N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone is C=C=O.Nc1cccc(Cl)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C1Nc2cccc(Cl)c2C(c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)N1.

What is the InChIKey of N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone?

The InChIKey is WCWLZOWNXBILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3F3N4O3S.C19H11Cl3F3N3O3S.C2H2O/c21-9-6-15(30-34(32,33)10-4-5-12(22)11(7-10)20(24,25)26)17(27-8-9)18-16-13(23)2-1-3-14(16)28-19(31)29-18;20-9-6-15(17(27-8-9)18(29)16-13(22)2-1-3-14(16)26)28-32(30,31)10-4-5-12(21)11(7-10)19(23,24)25;1-2-3/h1-8,18,30H,(H2,28,29,31);1-8,28H,26H2;1H2.

What are the key properties of N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone?

N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone has a molecular weight of 1118.53 g/mol, XLogP of 11.76, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(5-chloro-2-oxo-3,4-dihydro-1H-quinazolin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethenone is sourced from PubChem (CID 161469453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).