5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole

C23H19NO6S2 — CID 56969624

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C23H19NO6S2/c1-16-4-2-3-5-23(16)32(27,28)24-11-10-17-14-18(6-8-20(17)24)31(25,26)19-7-9-21-22(15-19)30-13-12-29-21/h2-11,14-15H,12-13H2,1H3
InChIKeyGCBBBBGMLFDYNP-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.79
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole (PubChem CID 56969624) has the molecular formula C23H19NO6S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole
PubChem CID56969624
Molecular FormulaC23H19NO6S2
Molecular Weight469.54 g/mol
Exact Mass469.07
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C23H19NO6S2/c1-16-4-2-3-5-23(16)32(27,28)24-11-10-17-14-18(6-8-20(17)24)31(25,26)19-7-9-21-22(15-19)30-13-12-29-21/h2-11,14-15H,12-13H2,1H3
InChIKeyGCBBBBGMLFDYNP-UHFFFAOYSA-N
XLogP3.79
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole with MolForge

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Related Compounds

Substituted phenylsulfonyltryptamine, 11l
CID 23655467
1-(3,4-Dimethoxy-benzenesulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 11524473
1-(3,4-Dimethoxy-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 10272325
1-(Benzenesulfonyl)-4-[4-[4-(2-propan-2-yloxyphenoxy)butyl]piperazin-1-yl]indole
CID 71151756
1-(Benzenesulfonyl)-4-[4-[3-(2-propan-2-yloxyphenoxy)propyl]piperazin-1-yl]indole
CID 71502633
N-[2-methyl-5-(2-thiazolo[5,4-b]pyridinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 9550275
5-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonylindole
CID 71460875
3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 56925645
5-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-1-methylsulfonylindole
CID 56969172
N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 9551570
1-(4-Methoxyphenyl)sulfonyl-7-(4-methylsulfonylphenyl)indole
CID 145965229
1-(3,4-Dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole
CID 22015392

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole (CID 56969624) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole is Cc1ccccc1S(=O)(=O)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole?
The InChIKey is GCBBBBGMLFDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6S2/c1-16-4-2-3-5-23(16)32(27,28)24-11-10-17-14-18(6-8-20(17)24)31(25,26)19-7-9-21-22(15-19)30-13-12-29-21/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole?
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole has a molecular weight of 469.54 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-methylphenyl)sulfonylindole is sourced from PubChem (CID 56969624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).