4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

C109H115ClF2N4O24S4 — CID 162021469

About 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 162021469) has the molecular formula C109H115ClF2N4O24S4 and a molecular weight of 2066.84 g/mol. Its IUPAC name is 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 162021469
• Molecular Formula: C109H115ClF2N4O24S4
• Molecular Weight: 2066.84 g/mol
• Exact Mass: 2064.64
• IUPAC Name: 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: Cc1ccccc1-c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cccc(F)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4Cl)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4F)c3)cc2)CCOCC1
• InChI: InChI=1S/C28H31NO6S.C27H28ClNO6S.2C27H28FNO6S/c1-21-6-2-3-10-26(21)23-9-4-7-22(20-23)8-5-17-35-24-11-13-25(14-12-24)36(32,33)28(27(30)29-31)15-18-34-19-16-28;28-25-9-2-1-8-24(25)21-7-3-5-20(19-21)6-4-16-35-22-10-12-23(13-11-22)36(32,33)27(26(30)29-31)14-17-34-18-15-27;28-23-8-2-7-22(19-23)21-6-1-4-20(18-21)5-3-15-35-24-9-11-25(12-10-24)36(32,33)27(26(30)29-31)13-16-34-17-14-27;28-25-9-2-1-8-24(25)21-7-3-5-20(19-21)6-4-16-35-22-10-12-23(13-11-22)36(32,33)27(26(30)29-31)14-17-34-18-15-27/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,30);1-3,5,7-13,19,31H,4,6,14-18H2,(H,29,30);1-2,4,6-12,18-19,31H,3,5,13-17H2,(H,29,30);1-3,5,7-13,19,31H,4,6,14-18H2,(H,29,30)
• InChIKey: YUUOPHBAGUQDER-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 407.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.84
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 162021469) is 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is Cc1ccccc1-c1cccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cccc(F)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4Cl)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4F)c3)cc2)CCOCC1.

What is the InChIKey of 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is YUUOPHBAGUQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO6S.C27H28ClNO6S.2C27H28FNO6S/c1-21-6-2-3-10-26(21)23-9-4-7-22(20-23)8-5-17-35-24-11-13-25(14-12-24)36(32,33)28(27(30)29-31)15-18-34-19-16-28;28-25-9-2-1-8-24(25)21-7-3-5-20(19-21)6-4-16-35-22-10-12-23(13-11-22)36(32,33)27(26(30)29-31)14-17-34-18-15-27;28-23-8-2-7-22(19-23)21-6-1-4-20(18-21)5-3-15-35-24-9-11-25(12-10-24)36(32,33)27(26(30)29-31)13-16-34-17-14-27;28-25-9-2-1-8-24(25)21-7-3-5-20(19-21)6-4-16-35-22-10-12-23(13-11-22)36(32,33)27(26(30)29-31)14-17-34-18-15-27/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,30);1-3,5,7-13,19,31H,4,6,14-18H2,(H,29,30);1-2,4,6-12,18-19,31H,3,5,13-17H2,(H,29,30);1-3,5,7-13,19,31H,4,6,14-18H2,(H,29,30).

What are the key properties of 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 2066.84 g/mol, XLogP of 18.01, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 162021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).