1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole

C16H15NO3S — CID 46807431

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCc2ccccc21
InChIInChI=1S/C16H15NO3S/c18-21(19,14-5-6-16-13(11-14)8-10-20-16)17-9-7-12-3-1-2-4-15(12)17/h1-6,11H,7-10H2
InChIKeyNYOHPTUOOQSPTC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.37
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole (PubChem CID 46807431) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
PubChem CID46807431
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCc2ccccc21
InChIInChI=1S/C16H15NO3S/c18-21(19,14-5-6-16-13(11-14)8-10-20-16)17-9-7-12-3-1-2-4-15(12)17/h1-6,11H,7-10H2
InChIKeyNYOHPTUOOQSPTC-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole (CID 46807431) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole is O=S(=O)(c1ccc2c(c1)CCO2)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole?
The InChIKey is NYOHPTUOOQSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-21(19,14-5-6-16-13(11-14)8-10-20-16)17-9-7-12-3-1-2-4-15(12)17/h1-6,11H,7-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole has a molecular weight of 301.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 46807431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).