4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

C82H85Cl4N3O18S3 — CID 161308294

IUPAC4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCc1ccc(-c2cccc(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)c2)cc1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cc(Cl)cc(Cl)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(Cl)cc4Cl)c3)cc2)CCOCC1
InChIInChI=1S/C28H31NO6S.2C27H27Cl2NO6S/c1-21-7-9-23(10-8-21)24-6-2-4-22(20-24)5-3-17-35-25-11-13-26(14-12-25)36(32,33)28(27(30)29-31)15-18-34-19-16-28;28-21-6-11-24(25(29)18-21)20-5-1-3-19(17-20)4-2-14-36-22-7-9-23(10-8-22)37(33,34)27(26(31)30-32)12-15-35-16-13-27;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/h2,4,6-14,20,31H,3,5,15-19H2,1H3,(H,29,30);1,3,5-11,17-18,32H,2,4,12-16H2,(H,30,31);1,3,5-9,15-18,32H,2,4,10-14H2,(H,30,31)
InChIKeyVINZXHHLURBGCC-UHFFFAOYSA-N
MW1638.60 g/mol
LogP15.50
Rot. Bonds27

About 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 161308294) has the molecular formula C82H85Cl4N3O18S3 and a molecular weight of 1638.60 g/mol. Its IUPAC name is 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID161308294
Molecular FormulaC82H85Cl4N3O18S3
Molecular Weight1638.60 g/mol
Exact Mass1635.37
IUPAC Name4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCc1ccc(-c2cccc(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)c2)cc1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cc(Cl)cc(Cl)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(Cl)cc4Cl)c3)cc2)CCOCC1
InChIInChI=1S/C28H31NO6S.2C27H27Cl2NO6S/c1-21-7-9-23(10-8-21)24-6-2-4-22(20-24)5-3-17-35-25-11-13-26(14-12-25)36(32,33)28(27(30)29-31)15-18-34-19-16-28;28-21-6-11-24(25(29)18-21)20-5-1-3-19(17-20)4-2-14-36-22-7-9-23(10-8-22)37(33,34)27(26(31)30-32)12-15-35-16-13-27;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/h2,4,6-14,20,31H,3,5,15-19H2,1H3,(H,29,30);1,3,5-11,17-18,32H,2,4,12-16H2,(H,30,31);1,3,5-9,15-18,32H,2,4,10-14H2,(H,30,31)
InChIKeyVINZXHHLURBGCC-UHFFFAOYSA-N
XLogP15.50
TPSA305.79 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001638.60
LogP ≤ 515.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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'}

Analyze 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide with MolForge

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Related Compounds

4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
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
N-hydroxy-4-[4-[2-[4-(3-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[4-(4-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(3-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157108031
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
4-[4-[3-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20780929
4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620341
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
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-propan-2-ylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 159939376
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
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
4-[4-[3-(3-methylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142186365
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 161308294) is 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is Cc1ccc(-c2cccc(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)c2)cc1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4cc(Cl)cc(Cl)c4)c3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccc(Cl)cc4Cl)c3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is VINZXHHLURBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO6S.2C27H27Cl2NO6S/c1-21-7-9-23(10-8-21)24-6-2-4-22(20-24)5-3-17-35-25-11-13-26(14-12-25)36(32,33)28(27(30)29-31)15-18-34-19-16-28;28-21-6-11-24(25(29)18-21)20-5-1-3-19(17-20)4-2-14-36-22-7-9-23(10-8-22)37(33,34)27(26(31)30-32)12-15-35-16-13-27;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/h2,4,6-14,20,31H,3,5,15-19H2,1H3,(H,29,30);1,3,5-11,17-18,32H,2,4,12-16H2,(H,30,31);1,3,5-9,15-18,32H,2,4,10-14H2,(H,30,31).
What are the key properties of 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 1638.60 g/mol, XLogP of 15.50, 27 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 161308294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).