1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole

C17H17NO5S — CID 56800307

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S/c1-21-13-2-4-15-12(10-13)6-7-18(15)24(19,20)14-3-5-16-17(11-14)23-9-8-22-16/h2-5,10-11H,6-9H2,1H3
InChIKeyKUUCOJFDBNDPGF-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.22
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole (PubChem CID 56800307) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
PubChem CID56800307
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S/c1-21-13-2-4-15-12(10-13)6-7-18(15)24(19,20)14-3-5-16-17(11-14)23-9-8-22-16/h2-5,10-11H,6-9H2,1H3
InChIKeyKUUCOJFDBNDPGF-UHFFFAOYSA-N
XLogP2.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 56968947
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenol
CID 149004728
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 56969398
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
CID 30713933

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole (CID 56800307) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole is COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole?
The InChIKey is KUUCOJFDBNDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-21-13-2-4-15-12(10-13)6-7-18(15)24(19,20)14-3-5-16-17(11-14)23-9-8-22-16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole has a molecular weight of 347.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole is sourced from PubChem (CID 56800307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).