4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

C111H117F6N5O24S4 — CID 157231750

About 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 157231750) has the molecular formula C111H117F6N5O24S4 and a molecular weight of 2147.42 g/mol. Its IUPAC name is 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 157231750
• Molecular Formula: C111H117F6N5O24S4
• Molecular Weight: 2147.42 g/mol
• Exact Mass: 2145.69
• IUPAC Name: 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4)c3)cc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cc(F)cc(F)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(F)cc4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1
• InChI: InChI=1S/C29H34N2O5S.C28H28F3NO7S.C27H27F2NO6S.C27H28FNO6S/c1-2-31-19-17-29(18-20-31,28(32)30-33)37(34,35)27-15-13-26(14-16-27)36-21-7-9-23-8-6-12-25(22-23)24-10-4-3-5-11-24;29-28(30,31)39-24-8-6-21(7-9-24)22-5-1-3-20(19-22)4-2-16-38-23-10-12-25(13-11-23)40(35,36)27(26(33)32-34)14-17-37-18-15-27;28-22-16-21(17-23(29)18-22)20-5-1-3-19(15-20)4-2-12-36-24-6-8-25(9-7-24)37(33,34)27(26(31)30-32)10-13-35-14-11-27;28-23-8-6-21(7-9-23)22-5-1-3-20(19-22)4-2-16-35-24-10-12-25(13-11-24)36(32,33)27(26(30)29-31)14-17-34-18-15-27/h3-6,8,10-16,22,33H,2,7,9,17-21H2,1H3,(H,30,32);1,3,5-13,19,34H,2,4,14-18H2,(H,32,33);1,3,5-9,15-18,32H,2,4,10-14H2,(H,30,31);1,3,5-13,19,31H,2,4,14-18H2,(H,29,30)
• InChIKey: AUENRCUZUKZMOR-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 410.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.42
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 157231750) is 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccc4)c3)cc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cc(F)cc(F)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(F)cc4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1.

What is the InChIKey of 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is AUENRCUZUKZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5S.C28H28F3NO7S.C27H27F2NO6S.C27H28FNO6S/c1-2-31-19-17-29(18-20-31,28(32)30-33)37(34,35)27-15-13-26(14-16-27)36-21-7-9-23-8-6-12-25(22-23)24-10-4-3-5-11-24;29-28(30,31)39-24-8-6-21(7-9-24)22-5-1-3-20(19-22)4-2-16-38-23-10-12-25(13-11-23)40(35,36)27(26(33)32-34)14-17-37-18-15-27;28-22-16-21(17-23(29)18-22)20-5-1-3-19(15-20)4-2-12-36-24-6-8-25(9-7-24)37(33,34)27(26(31)30-32)10-13-35-14-11-27;28-23-8-6-21(7-9-23)22-5-1-3-20(19-22)4-2-16-35-24-10-12-25(13-11-24)36(32,33)27(26(30)29-31)14-17-34-18-15-27/h3-6,8,10-16,22,33H,2,7,9,17-21H2,1H3,(H,30,32);1,3,5-13,19,34H,2,4,14-18H2,(H,32,33);1,3,5-9,15-18,32H,2,4,10-14H2,(H,30,31);1,3,5-13,19,31H,2,4,14-18H2,(H,29,30).

What are the key properties of 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 2147.42 g/mol, XLogP of 18.40, 38 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 157231750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).