2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane

C53H59AlCl5N3O16S6 — CID 160585756

IUPAC2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane
SMILESCS(=O)(=O)Cl.CS(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.CS(=O)(=O)N1CCc2ccccc21.CS(=O)(=O)N1CCc2ccccc21.Cl[Al](Cl)Cl.O=S(=O)(Cl)c1ccc2c(c1)OCCO2.c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NO6S2.2C9H11NO2S.C9H10.C8H7ClO4S.CH3ClO2S.Al.3ClH/c1-25(19,20)18-7-6-12-10-13(2-4-15(12)18)26(21,22)14-3-5-16-17(11-14)24-9-8-23-16;2*1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;1-2-5-9-7-3-6-8(9)4-1;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7;1-5(2,3)4;;;;/h2-5,10-11H,6-9H2,1H3;2*2-5H,6-7H2,1H3;1-2,4-5H,3,6-7H2;1-2,5H,3-4H2;1H3;;3*1H/q;;;;;;+3;;;/p-3
InChIKeyRCJFBSHNJVAKEZ-UHFFFAOYSA-K
MW1390.71 g/mol
LogP9.06
Rot. Bonds6

About 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane

2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane (PubChem CID 160585756) has the molecular formula C53H59AlCl5N3O16S6 and a molecular weight of 1390.71 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane
PubChem CID160585756
Molecular FormulaC53H59AlCl5N3O16S6
Molecular Weight1390.71 g/mol
Exact Mass1387.05
IUPAC Name2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane
SMILESCS(=O)(=O)Cl.CS(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.CS(=O)(=O)N1CCc2ccccc21.CS(=O)(=O)N1CCc2ccccc21.Cl[Al](Cl)Cl.O=S(=O)(Cl)c1ccc2c(c1)OCCO2.c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NO6S2.2C9H11NO2S.C9H10.C8H7ClO4S.CH3ClO2S.Al.3ClH/c1-25(19,20)18-7-6-12-10-13(2-4-15(12)18)26(21,22)14-3-5-16-17(11-14)24-9-8-23-16;2*1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;1-2-5-9-7-3-6-8(9)4-1;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7;1-5(2,3)4;;;;/h2-5,10-11H,6-9H2,1H3;2*2-5H,6-7H2,1H3;1-2,4-5H,3,6-7H2;1-2,5H,3-4H2;1H3;;3*1H/q;;;;;;+3;;;/p-3
InChIKeyRCJFBSHNJVAKEZ-UHFFFAOYSA-K
XLogP9.06
TPSA251.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.71
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane with MolForge

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 56968947
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 56969398
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 158071157
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)prop-2-en-1-one
CID 89239024
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane (CID 160585756) is 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane is CS(=O)(=O)Cl.CS(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.CS(=O)(=O)N1CCc2ccccc21.CS(=O)(=O)N1CCc2ccccc21.Cl[Al](Cl)Cl.O=S(=O)(Cl)c1ccc2c(c1)OCCO2.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane?
The InChIKey is RCJFBSHNJVAKEZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H17NO6S2.2C9H11NO2S.C9H10.C8H7ClO4S.CH3ClO2S.Al.3ClH/c1-25(19,20)18-7-6-12-10-13(2-4-15(12)18)26(21,22)14-3-5-16-17(11-14)24-9-8-23-16;2*1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;1-2-5-9-7-3-6-8(9)4-1;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7;1-5(2,3)4;;;;/h2-5,10-11H,6-9H2,1H3;2*2-5H,6-7H2,1H3;1-2,4-5H,3,6-7H2;1-2,5H,3-4H2;1H3;;3*1H/q;;;;;;+3;;;/p-3.
What are the key properties of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane?
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane has a molecular weight of 1390.71 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane is sourced from PubChem (CID 160585756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).