1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile

C19H15N3O2S — CID 146524312

IUPAC1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile
SMILESCc1cncc2cccc(S(=O)(=O)N3CCc4ccc(C#N)cc43)c12
InChIInChI=1S/C19H15N3O2S/c1-13-11-21-12-16-3-2-4-18(19(13)16)25(23,24)22-8-7-15-6-5-14(10-20)9-17(15)22/h2-6,9,11-12H,7-8H2,1H3
InChIKeyONNGIICTGMYSDV-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile

1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile (PubChem CID 146524312) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile.

Molecular Properties

Compound Name1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile
PubChem CID146524312
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile
SMILESCc1cncc2cccc(S(=O)(=O)N3CCc4ccc(C#N)cc43)c12
InChIInChI=1S/C19H15N3O2S/c1-13-11-21-12-16-3-2-4-18(19(13)16)25(23,24)22-8-7-15-6-5-14(10-20)9-17(15)22/h2-6,9,11-12H,7-8H2,1H3
InChIKeyONNGIICTGMYSDV-UHFFFAOYSA-N
XLogP3.17
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile?
The IUPAC name of 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile (CID 146524312) is 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile.
What is the SMILES notation for 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile?
The canonical SMILES for 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile is Cc1cncc2cccc(S(=O)(=O)N3CCc4ccc(C#N)cc43)c12.
What is the InChIKey of 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile?
The InChIKey is ONNGIICTGMYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-13-11-21-12-16-3-2-4-18(19(13)16)25(23,24)22-8-7-15-6-5-14(10-20)9-17(15)22/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile?
1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile has a molecular weight of 349.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylisoquinolin-5-yl)sulfonyl-2,3-dihydroindole-6-carbonitrile is sourced from PubChem (CID 146524312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).