6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline

C17H18N2O2S — CID 22692421

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2S/c20-22(21,19-11-9-13-4-1-2-6-17(13)19)15-7-8-16-14(12-15)5-3-10-18-16/h1-2,4,6-8,12,18H,3,5,9-11H2
InChIKeyIYULWCIQRDOBCH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.80
Rot. Bonds2

About 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline

6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 22692421) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
PubChem CID22692421
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2S/c20-22(21,19-11-9-13-4-1-2-6-17(13)19)15-7-8-16-14(12-15)5-3-10-18-16/h1-2,4,6-8,12,18H,3,5,9-11H2
InChIKeyIYULWCIQRDOBCH-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline (CID 22692421) is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IYULWCIQRDOBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-22(21,19-11-9-13-4-1-2-6-17(13)19)15-7-8-16-14(12-15)5-3-10-18-16/h1-2,4,6-8,12,18H,3,5,9-11H2.
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline?
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 314.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 22692421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).