1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole

C111H96F5N5O32S10 — CID 157471605

IUPAC1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC1Cc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1S(=O)(=O)c1c(F)cccc1F.Cc1cccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)c4ccc5c(c4)OCCO5)ccc32)c1.Cc1cn(S(C)(=O)=O)c2ccc(S(=O)(=O)c3ccc4c(c3)OCCO4)cc12.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21NO8S2.C23H18F3NO6S2.C23H19F2NO6S2.C23H21NO6S2.C18H17NO6S2/c26-34(27,18-2-5-21-23(14-18)32-11-9-30-21)17-1-4-20-16(13-17)7-8-25(20)35(28,29)19-3-6-22-24(15-19)33-12-10-31-22;24-23(25,26)18-3-1-2-4-22(18)35(30,31)27-10-9-15-13-16(5-7-19(15)27)34(28,29)17-6-8-20-21(14-17)33-12-11-32-20;1-14-11-15-12-16(33(27,28)17-6-8-21-22(13-17)32-10-9-31-21)5-7-20(15)26(14)34(29,30)23-18(24)3-2-4-19(23)25;1-16-3-2-4-20(13-16)32(27,28)24-10-9-17-14-18(5-7-21(17)24)31(25,26)19-6-8-22-23(15-19)30-12-11-29-22;1-12-11-19(26(2,20)21)16-5-3-13(9-15(12)16)27(22,23)14-4-6-17-18(10-14)25-8-7-24-17/h1-6,13-15H,7-12H2;1-8,13-14H,9-12H2;2-8,12-14H,9-11H2,1H3;2-8,13-15H,9-12H2,1H3;3-6,9-11H,7-8H2,1-2H3
InChIKeyBVCHWVKKOAJTDA-UHFFFAOYSA-N
MW2427.65 g/mol
LogP16.29
Rot. Bonds19

About 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole

1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 157471605) has the molecular formula C111H96F5N5O32S10 and a molecular weight of 2427.65 g/mol. Its IUPAC name is 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID157471605
Molecular FormulaC111H96F5N5O32S10
Molecular Weight2427.65 g/mol
Exact Mass2425.32
IUPAC Name1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC1Cc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1S(=O)(=O)c1c(F)cccc1F.Cc1cccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)c4ccc5c(c4)OCCO5)ccc32)c1.Cc1cn(S(C)(=O)=O)c2ccc(S(=O)(=O)c3ccc4c(c3)OCCO4)cc12.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21NO8S2.C23H18F3NO6S2.C23H19F2NO6S2.C23H21NO6S2.C18H17NO6S2/c26-34(27,18-2-5-21-23(14-18)32-11-9-30-21)17-1-4-20-16(13-17)7-8-25(20)35(28,29)19-3-6-22-24(15-19)33-12-10-31-22;24-23(25,26)18-3-1-2-4-22(18)35(30,31)27-10-9-15-13-16(5-7-19(15)27)34(28,29)17-6-8-20-21(14-17)33-12-11-32-20;1-14-11-15-12-16(33(27,28)17-6-8-21-22(13-17)32-10-9-31-21)5-7-20(15)26(14)34(29,30)23-18(24)3-2-4-19(23)25;1-16-3-2-4-20(13-16)32(27,28)24-10-9-17-14-18(5-7-21(17)24)31(25,26)19-6-8-22-23(15-19)30-12-11-29-22;1-12-11-19(26(2,20)21)16-5-3-13(9-15(12)16)27(22,23)14-4-6-17-18(10-14)25-8-7-24-17/h1-6,13-15H,7-12H2;1-8,13-14H,9-12H2;2-8,12-14H,9-11H2,1H3;2-8,13-15H,9-12H2,1H3;3-6,9-11H,7-8H2,1-2H3
InChIKeyBVCHWVKKOAJTDA-UHFFFAOYSA-N
XLogP16.29
TPSA470.05 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002427.65
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157838512
2-(3-Dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate
CID 159891498
sodium;2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;hydride;methanesulfonyl chloride;3-methyl-1H-indene;bis(3-methyl-1-methylsulfonylindole);oxolane;trichloroalumane
CID 161182692

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (CID 157471605) is 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is CC1Cc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1S(=O)(=O)c1c(F)cccc1F.Cc1cccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)c4ccc5c(c4)OCCO5)ccc32)c1.Cc1cn(S(C)(=O)=O)c2ccc(S(=O)(=O)c3ccc4c(c3)OCCO4)cc12.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is BVCHWVKKOAJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO8S2.C23H18F3NO6S2.C23H19F2NO6S2.C23H21NO6S2.C18H17NO6S2/c26-34(27,18-2-5-21-23(14-18)32-11-9-30-21)17-1-4-20-16(13-17)7-8-25(20)35(28,29)19-3-6-22-24(15-19)33-12-10-31-22;24-23(25,26)18-3-1-2-4-22(18)35(30,31)27-10-9-15-13-16(5-7-19(15)27)34(28,29)17-6-8-20-21(14-17)33-12-11-32-20;1-14-11-15-12-16(33(27,28)17-6-8-21-22(13-17)32-10-9-31-21)5-7-20(15)26(14)34(29,30)23-18(24)3-2-4-19(23)25;1-16-3-2-4-20(13-16)32(27,28)24-10-9-17-14-18(5-7-21(17)24)31(25,26)19-6-8-22-23(15-19)30-12-11-29-22;1-12-11-19(26(2,20)21)16-5-3-13(9-15(12)16)27(22,23)14-4-6-17-18(10-14)25-8-7-24-17/h1-6,13-15H,7-12H2;1-8,13-14H,9-12H2;2-8,12-14H,9-11H2,1H3;2-8,13-15H,9-12H2,1H3;3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 2427.65 g/mol, XLogP of 16.29, 19 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3-dihydroindole;1-(2,6-difluorophenyl)sulfonyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3-methylphenyl)sulfonyl-2,3-dihydroindole;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 157471605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).