(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate

C136H92F13N7O45S11 — CID 158905357

IUPAC(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate
SMILESCOc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1cccc2ccccc12.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccccc1.O=S(Oc1c(F)c(F)c(F)c(F)c1F)OS(=O)c1c(F)c(F)c(F)c(F)c1F.O=S(Oc1ccccc1)OS(=O)c1ccc(C2CCCCC2)cc1.[H][H]
InChIInChI=1S/C19H13NO6S.C18H11NO5S.C18H20O4S2.C15H8F3NO5S.C15H11NO6S.C15H11NO5S.C14H9NO5S.C12F10O4S2.C10H7NO5S.H2/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22;20-17-14-9-3-4-10-15(14)18(21)19(17)24-25(22)23-16-11-5-7-12-6-1-2-8-13(12)16;19-23(22-24(20)21-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;16-15(17,18)9-5-7-10(8-6-9)23-25(22)24-19-13(20)11-3-1-2-4-12(11)14(19)21;1-20-10-6-8-11(9-7-10)21-23(19)22-16-14(17)12-4-2-3-5-13(12)15(16)18;1-10-6-8-11(9-7-10)20-22(19)21-16-14(17)12-4-2-3-5-13(12)15(16)18;16-13-11-8-4-5-9-12(11)14(17)15(13)20-21(18)19-10-6-2-1-3-7-10;13-1-3(15)7(19)11(8(20)4(1)16)25-28(24)26-27(23)12-9(21)5(17)2(14)6(18)10(12)22;12-9-6-7-10(13)11(9)16-17(14)15-8-4-2-1-3-5-8;/h2-11H,1H3;1-11H;2,5-6,9-15H,1,3-4,7-8H2;1-8H;2-9H,1H3;2-9H,1H3;1-9H;;1-7H;1H
InChIKeyJFYZFGIXSBTSLS-UHFFFAOYSA-N
MW3143.95 g/mol
LogP23.83
Rot. Bonds41

About (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate

(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate (PubChem CID 158905357) has the molecular formula C136H92F13N7O45S11 and a molecular weight of 3143.95 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate
PubChem CID158905357
Molecular FormulaC136H92F13N7O45S11
Molecular Weight3143.95 g/mol
Exact Mass3141.18
IUPAC Name(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate
SMILESCOc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1cccc2ccccc12.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccccc1.O=S(Oc1c(F)c(F)c(F)c(F)c1F)OS(=O)c1c(F)c(F)c(F)c(F)c1F.O=S(Oc1ccccc1)OS(=O)c1ccc(C2CCCCC2)cc1.[H][H]
InChIInChI=1S/C19H13NO6S.C18H11NO5S.C18H20O4S2.C15H8F3NO5S.C15H11NO6S.C15H11NO5S.C14H9NO5S.C12F10O4S2.C10H7NO5S.H2/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22;20-17-14-9-3-4-10-15(14)18(21)19(17)24-25(22)23-16-11-5-7-12-6-1-2-8-13(12)16;19-23(22-24(20)21-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;16-15(17,18)9-5-7-10(8-6-9)23-25(22)24-19-13(20)11-3-1-2-4-12(11)14(19)21;1-20-10-6-8-11(9-7-10)21-23(19)22-16-14(17)12-4-2-3-5-13(12)15(16)18;1-10-6-8-11(9-7-10)20-22(19)21-16-14(17)12-4-2-3-5-13(12)15(16)18;16-13-11-8-4-5-9-12(11)14(17)15(13)20-21(18)19-10-6-2-1-3-7-10;13-1-3(15)7(19)11(8(20)4(1)16)25-28(24)26-27(23)12-9(21)5(17)2(14)6(18)10(12)22;12-9-6-7-10(13)11(9)16-17(14)15-8-4-2-1-3-5-8;/h2-11H,1H3;1-11H;2,5-6,9-15H,1,3-4,7-8H2;1-8H;2-9H,1H3;2-9H,1H3;1-9H;;1-7H;1H
InChIKeyJFYZFGIXSBTSLS-UHFFFAOYSA-N
XLogP23.83
TPSA634.03 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.95
LogP ≤ 523.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate (CID 158905357) is (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate is COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1cccc2ccccc12.O=C1c2ccccc2C(=O)N1OS(=O)Oc1ccccc1.O=S(Oc1c(F)c(F)c(F)c(F)c1F)OS(=O)c1c(F)c(F)c(F)c(F)c1F.O=S(Oc1ccccc1)OS(=O)c1ccc(C2CCCCC2)cc1.[H][H].
What is the InChIKey of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate?
The InChIKey is JFYZFGIXSBTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO6S.C18H11NO5S.C18H20O4S2.C15H8F3NO5S.C15H11NO6S.C15H11NO5S.C14H9NO5S.C12F10O4S2.C10H7NO5S.H2/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22;20-17-14-9-3-4-10-15(14)18(21)19(17)24-25(22)23-16-11-5-7-12-6-1-2-8-13(12)16;19-23(22-24(20)21-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;16-15(17,18)9-5-7-10(8-6-9)23-25(22)24-19-13(20)11-3-1-2-4-12(11)14(19)21;1-20-10-6-8-11(9-7-10)21-23(19)22-16-14(17)12-4-2-3-5-13(12)15(16)18;1-10-6-8-11(9-7-10)20-22(19)21-16-14(17)12-4-2-3-5-13(12)15(16)18;16-13-11-8-4-5-9-12(11)14(17)15(13)20-21(18)19-10-6-2-1-3-7-10;13-1-3(15)7(19)11(8(20)4(1)16)25-28(24)26-27(23)12-9(21)5(17)2(14)6(18)10(12)22;12-9-6-7-10(13)11(9)16-17(14)15-8-4-2-1-3-5-8;/h2-11H,1H3;1-11H;2,5-6,9-15H,1,3-4,7-8H2;1-8H;2-9H,1H3;2-9H,1H3;1-9H;;1-7H;1H.
What are the key properties of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate?
(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate has a molecular weight of 3143.95 g/mol, XLogP of 23.83, 41 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate is sourced from PubChem (CID 158905357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).