4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate

C76H49F14N2O21S9-5 — CID 158261087

IUPAC4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate
SMILESC=Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(S(=O)(=O)c2c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c2F)cc1.C=Cc1ccc(Sc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc2cc(Oc3c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c3F)ccc2c1
InChIInChI=1S/C19H10F7NO5S2.C15H8F7NO6S3.C14H12O4S.C14H12O3S2.C14H12O3S/c1-2-9-3-4-11-8-12(6-5-10(11)7-9)32-17-13(20)15(22)18(16(23)14(17)21)33(28,29)27-34(30,31)19(24,25)26;1-2-7-3-5-8(6-4-7)30(24,25)13-9(16)11(18)14(12(19)10(13)17)31(26,27)23-32(28,29)15(20,21)22;2*1-2-11-3-5-12(6-4-11)18-13-7-9-14(10-8-13)19(15,16)17;1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(15,16)17/h2-8H,1H2,(H,27,28,29);2-6H,1H2,(H,23,26,27);2*2-10H,1H2,(H,15,16,17);2-10H,1H2,(H,15,16,17)/p-5
InChIKeyGHWNPXHRVZSTAO-UHFFFAOYSA-I
MW1880.80 g/mol
LogP18.48
Rot. Bonds21

About 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate

4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate (PubChem CID 158261087) has the molecular formula C76H49F14N2O21S9-5 and a molecular weight of 1880.80 g/mol. Its IUPAC name is 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate.

Molecular Properties

Compound Name4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate
PubChem CID158261087
Molecular FormulaC76H49F14N2O21S9-5
Molecular Weight1880.80 g/mol
Exact Mass1879.01
IUPAC Name4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate
SMILESC=Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(S(=O)(=O)c2c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c2F)cc1.C=Cc1ccc(Sc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc2cc(Oc3c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c3F)ccc2c1
InChIInChI=1S/C19H10F7NO5S2.C15H8F7NO6S3.C14H12O4S.C14H12O3S2.C14H12O3S/c1-2-9-3-4-11-8-12(6-5-10(11)7-9)32-17-13(20)15(22)18(16(23)14(17)21)33(28,29)27-34(30,31)19(24,25)26;1-2-7-3-5-8(6-4-7)30(24,25)13-9(16)11(18)14(12(19)10(13)17)31(26,27)23-32(28,29)15(20,21)22;2*1-2-11-3-5-12(6-4-11)18-13-7-9-14(10-8-13)19(15,16)17;1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(15,16)17/h2-8H,1H2,(H,27,28,29);2-6H,1H2,(H,23,26,27);2*2-10H,1H2,(H,15,16,17);2-10H,1H2,(H,15,16,17)/p-5
InChIKeyGHWNPXHRVZSTAO-UHFFFAOYSA-I
XLogP18.48
TPSA397.46 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.80
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate with MolForge

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Related Compounds

1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene
CID 57679067
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-[4-(4-methoxy-2,3,5-triphenylphenyl)-2,3,6-triphenylphenoxy]phenyl]sulfonyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983602
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-[4-[4-[4-(4-methoxyphenyl)phenyl]phenyl]phenoxy]phenyl]sulfonyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983614
[9,10-Bis(4-octoxyphenyl)-6-(trifluoromethylperoxysulfinyl)anthracen-2-yl] trifluoromethanesulfonate
CID 59680605
4-[5-[4-(3,4-Dimethylphenyl)phenyl]-3-(3,4-disulfophenyl)-2-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-(trifluoromethyl)phenyl]phenyl]-4,6-diphenylphenyl]benzene-1,2-disulfonic acid
CID 117837312
4-[5-[4-(3,4-Dimethylphenyl)phenyl]-3-(3,4-disulfophenyl)-2-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-(trifluoromethyl)phenyl]phenyl]-4,6-bis[3-(trioxidanylsulfanyl)phenyl]phenyl]benzene-1,2-disulfonic acid
CID 117837324
2-[4-[4-[2,3,5,6-Tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-sulfanylphenyl)sulfanylphenyl]sulfanylphenyl]phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzenesulfonic acid
CID 129155441
[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785749
[[4-(Phenanthren-9-ylmethoxy)phenyl]-diphenyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785757
[Bis[4-(2-ethoxyethoxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785758
[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785760

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate?
The IUPAC name of 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate (CID 158261087) is 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate.
What is the SMILES notation for 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate?
The canonical SMILES for 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate is C=Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(Oc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc(S(=O)(=O)c2c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c2F)cc1.C=Cc1ccc(Sc2ccc(S(=O)(=O)[O-])cc2)cc1.C=Cc1ccc2cc(Oc3c(F)c(F)c(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)c(F)c3F)ccc2c1.
What is the InChIKey of 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate?
The InChIKey is GHWNPXHRVZSTAO-UHFFFAOYSA-I. The full InChI is InChI=1S/C19H10F7NO5S2.C15H8F7NO6S3.C14H12O4S.C14H12O3S2.C14H12O3S/c1-2-9-3-4-11-8-12(6-5-10(11)7-9)32-17-13(20)15(22)18(16(23)14(17)21)33(28,29)27-34(30,31)19(24,25)26;1-2-7-3-5-8(6-4-7)30(24,25)13-9(16)11(18)14(12(19)10(13)17)31(26,27)23-32(28,29)15(20,21)22;2*1-2-11-3-5-12(6-4-11)18-13-7-9-14(10-8-13)19(15,16)17;1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(15,16)17/h2-8H,1H2,(H,27,28,29);2-6H,1H2,(H,23,26,27);2*2-10H,1H2,(H,15,16,17);2-10H,1H2,(H,15,16,17)/p-5.
What are the key properties of 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate?
4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate has a molecular weight of 1880.80 g/mol, XLogP of 18.48, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethenylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate;4-(4-ethenylphenoxy)benzenesulfonate;4-(4-ethenylphenyl)benzenesulfonate;4-(4-ethenylphenyl)sulfanylbenzenesulfonate;4-(4-ethenylphenyl)sulfonyl-2,3,5,6-tetrafluoro-N-(trifluoromethylsulfonyl)benzenesulfonimidate is sourced from PubChem (CID 158261087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).