4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide

C42H32F3N7O6S4 — CID 159735504

About 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide

4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide (PubChem CID 159735504) has the molecular formula C42H32F3N7O6S4 and a molecular weight of 916.02 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
• PubChem CID: 159735504
• Molecular Formula: C42H32F3N7O6S4
• Molecular Weight: 916.02 g/mol
• Exact Mass: 915.12
• IUPAC Name: 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
• SMILES: Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
• InChI: InChI=1S/C27H19F3N4O4S2.C15H13N3O2S2/c28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)38-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)40(36,37)34-26-32-14-15-39-26;16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)22(19,20)18-15-17-9-10-21-15/h1-15H,16H2,(H,32,34)(H,33,35);1-10H,16H2,(H,17,18)
• InChIKey: NBUBKOUMMFIFCT-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 195.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.02
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The IUPAC name of 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide (CID 159735504) is 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide.

What is the SMILES notation for 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The canonical SMILES for 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide is Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.

What is the InChIKey of 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

The InChIKey is NBUBKOUMMFIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O4S2.C15H13N3O2S2/c28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)38-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)40(36,37)34-26-32-14-15-39-26;16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)22(19,20)18-15-17-9-10-21-15/h1-15H,16H2,(H,32,34)(H,33,35);1-10H,16H2,(H,17,18).

What are the key properties of 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide?

4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide has a molecular weight of 916.02 g/mol, XLogP of 9.39, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide is sourced from PubChem (CID 159735504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).