5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one

C19H18N2O3S — CID 146524270

IUPAC5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
SMILESCCc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C19H18N2O3S/c1-2-13-5-3-7-17-14(13)10-12-21(17)25(23,24)18-8-4-6-16-15(18)9-11-20-19(16)22/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyCWROKKPJTUFBTO-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.84
Rot. Bonds3

About 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one

5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one (PubChem CID 146524270) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
PubChem CID146524270
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
SMILESCCc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C19H18N2O3S/c1-2-13-5-3-7-17-14(13)10-12-21(17)25(23,24)18-8-4-6-16-15(18)9-11-20-19(16)22/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyCWROKKPJTUFBTO-UHFFFAOYSA-N
XLogP2.84
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The IUPAC name of 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one (CID 146524270) is 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one is CCc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The InChIKey is CWROKKPJTUFBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-13-5-3-7-17-14(13)10-12-21(17)25(23,24)18-8-4-6-16-15(18)9-11-20-19(16)22/h3-9,11H,2,10,12H2,1H3,(H,20,22).
What are the key properties of 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one has a molecular weight of 354.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 146524270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).