N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C38H20Cl6F6N6O8S2 — CID 158013080

About N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 158013080) has the molecular formula C38H20Cl6F6N6O8S2 and a molecular weight of 1079.45 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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 158013080
• Molecular Formula: C38H20Cl6F6N6O8S2
• Molecular Weight: 1079.45 g/mol
• Exact Mass: 1075.88
• IUPAC Name: N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: Nc1cccc(Cl)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cccc1[N+](=O)[O-]
• InChI: InChI=1S/C19H9Cl3F3N3O5S.C19H11Cl3F3N3O3S/c20-9-6-14(27-34(32,33)10-4-5-12(21)11(7-10)19(23,24)25)17(26-8-9)18(29)16-13(22)2-1-3-15(16)28(30)31;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/h1-8,27H;1-8,28H,26H2
• InChIKey: FFDDKUZFQQPNJE-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 221.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.45
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 158013080) is N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Nc1cccc(Cl)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cccc1[N+](=O)[O-].

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is FFDDKUZFQQPNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F3N3O5S.C19H11Cl3F3N3O3S/c20-9-6-14(27-34(32,33)10-4-5-12(21)11(7-10)19(23,24)25)17(26-8-9)18(29)16-13(22)2-1-3-15(16)28(30)31;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/h1-8,27H;1-8,28H,26H2.

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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1079.45 g/mol, XLogP of 11.68, 11 rotatable bonds, 3 hydrogen bond donors, and 11 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-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 158013080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).