N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid

C122H136N2O33S6 — CID 158290881

IUPACN-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1(Sc2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1CCOCC1.N#CC1CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1CCOCC1.OC1CCOCC1.c1ccc(Oc2ccc(SSc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H18O2S2.C19H20O6S.C19H20O4S.C18H19NO6S.C18H18O6S.C7H12O3.C6H9NO.C6H10O3.C5H10O2/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-28-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20;1-23-18(20)19(11-13-24-14-12-19)26(21,22)17-9-7-16(8-10-17)25-15-5-3-2-4-6-15;1-21-18(20)19(11-13-22-14-12-19)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15;20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14;19-17(20)18(10-12-23-13-11-18)25(21,22)16-8-6-15(7-9-16)24-14-4-2-1-3-5-14;1-9-7(8)6-2-4-10-5-3-6;7-5-6-1-3-8-4-2-6;7-6(8)5-1-3-9-4-2-5;6-5-1-3-7-4-2-5/h1-18H;2-10H,11-14H2,1H3;2-10H,11-14H2,1H3;1-9,21H,10-13H2,(H,19,20);1-9H,10-13H2,(H,19,20);6H,2-5H2,1H3;6H,1-4H2;5H,1-4H2,(H,7,8);5-6H,1-4H2
InChIKeyGLILVKYVSAUYDW-UHFFFAOYSA-N
MW2350.81 g/mol
LogP22.71
Rot. Bonds29

About N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid

N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid (PubChem CID 158290881) has the molecular formula C122H136N2O33S6 and a molecular weight of 2350.81 g/mol. Its IUPAC name is N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid.

Molecular Properties

Compound NameN-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid
PubChem CID158290881
Molecular FormulaC122H136N2O33S6
Molecular Weight2350.81 g/mol
Exact Mass2348.73
IUPAC NameN-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1(Sc2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1CCOCC1.N#CC1CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1CCOCC1.OC1CCOCC1.c1ccc(Oc2ccc(SSc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H18O2S2.C19H20O6S.C19H20O4S.C18H19NO6S.C18H18O6S.C7H12O3.C6H9NO.C6H10O3.C5H10O2/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-28-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20;1-23-18(20)19(11-13-24-14-12-19)26(21,22)17-9-7-16(8-10-17)25-15-5-3-2-4-6-15;1-21-18(20)19(11-13-22-14-12-19)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15;20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14;19-17(20)18(10-12-23-13-11-18)25(21,22)16-8-6-15(7-9-16)24-14-4-2-1-3-5-14;1-9-7(8)6-2-4-10-5-3-6;7-5-6-1-3-8-4-2-6;7-6(8)5-1-3-9-4-2-5;6-5-1-3-7-4-2-5/h1-18H;2-10H,11-14H2,1H3;2-10H,11-14H2,1H3;1-9,21H,10-13H2,(H,19,20);1-9H,10-13H2,(H,19,20);6H,2-5H2,1H3;6H,1-4H2;5H,1-4H2,(H,7,8);5-6H,1-4H2
InChIKeyGLILVKYVSAUYDW-UHFFFAOYSA-N
XLogP22.71
TPSA478.49 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002350.81
LogP ≤ 522.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid with MolForge

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Related Compounds

N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
methyl 4-(4-phenoxyphenyl)sulfanylthiane-4-carboxylate
CID 22985977
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891108
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620387
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492
4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride
CID 159973027
4-[4-[4-(4-acetylpiperazin-1-yl)phenyl]sulfanylphenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 22985922
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 46891358

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid?
The IUPAC name of N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid (CID 158290881) is N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid.
What is the SMILES notation for N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid?
The canonical SMILES for N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid is COC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1(Sc2ccc(Oc3ccccc3)cc2)CCOCC1.COC(=O)C1CCOCC1.N#CC1CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1.O=C(O)C1CCOCC1.OC1CCOCC1.c1ccc(Oc2ccc(SSc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid?
The InChIKey is GLILVKYVSAUYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2S2.C19H20O6S.C19H20O4S.C18H19NO6S.C18H18O6S.C7H12O3.C6H9NO.C6H10O3.C5H10O2/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-28-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20;1-23-18(20)19(11-13-24-14-12-19)26(21,22)17-9-7-16(8-10-17)25-15-5-3-2-4-6-15;1-21-18(20)19(11-13-22-14-12-19)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15;20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14;19-17(20)18(10-12-23-13-11-18)25(21,22)16-8-6-15(7-9-16)24-14-4-2-1-3-5-14;1-9-7(8)6-2-4-10-5-3-6;7-5-6-1-3-8-4-2-6;7-6(8)5-1-3-9-4-2-5;6-5-1-3-7-4-2-5/h1-18H;2-10H,11-14H2,1H3;2-10H,11-14H2,1H3;1-9,21H,10-13H2,(H,19,20);1-9H,10-13H2,(H,19,20);6H,2-5H2,1H3;6H,1-4H2;5H,1-4H2,(H,7,8);5-6H,1-4H2.
What are the key properties of N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid?
N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid has a molecular weight of 2350.81 g/mol, XLogP of 22.71, 29 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-phenoxyphenyl)sulfonyloxane-4-carboxamide;methyl oxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfanyloxane-4-carboxylate;methyl 4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylate;oxane-4-carbonitrile;oxane-4-carboxylic acid;oxan-4-ol;1-phenoxy-4-[(4-phenoxyphenyl)disulfanyl]benzene;4-(4-phenoxyphenyl)sulfonyloxane-4-carboxylic acid is sourced from PubChem (CID 158290881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).