[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine

C21H19N3O2S — CID 58211685

IUPAC[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C21H19N3O2S/c22-14-16-8-10-18(11-9-16)20-6-3-7-21(23-20)27(25,26)24-13-12-17-4-1-2-5-19(17)15-24/h1-11,14,22H,12-13,15H2/b22-14+
InChIKeyUEKTXZCYXCYIED-HYARGMPZSA-N
MW377.47 g/mol
LogP3.49
Rot. Bonds4

About [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine

[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine (PubChem CID 58211685) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine
PubChem CID58211685
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C21H19N3O2S/c22-14-16-8-10-18(11-9-16)20-6-3-7-21(23-20)27(25,26)24-13-12-17-4-1-2-5-19(17)15-24/h1-11,14,22H,12-13,15H2/b22-14+
InChIKeyUEKTXZCYXCYIED-HYARGMPZSA-N
XLogP3.49
TPSA74.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-[[6-(4-methanimidoylphenyl)-2-pyridinyl]sulfonyl]-N-methylpyrrolidin-3-amine
CID 58211598
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2,5-dimethyl-1,3-oxazole
CID 110410978
4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-methyl-1,3-thiazole
CID 20974298
2-(1H-pyrazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 102691582
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
CID 89050921
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
CID 61300720
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylaniline
CID 43452422
bis((E)-but-2-enedioic acid);3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrate
CID 174678809
3-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1H-pyridazin-6-one
CID 50763983

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine?
The IUPAC name of [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine (CID 58211685) is [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine.
What is the SMILES notation for [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine?
The canonical SMILES for [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine is [H]/N=C/c1ccc(-c2cccc(S(=O)(=O)N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine?
The InChIKey is UEKTXZCYXCYIED-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O2S/c22-14-16-8-10-18(11-9-16)20-6-3-7-21(23-20)27(25,26)24-13-12-17-4-1-2-5-19(17)15-24/h1-11,14,22H,12-13,15H2/b22-14+.
What are the key properties of [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine?
[4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine has a molecular weight of 377.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]phenyl]methanimine is sourced from PubChem (CID 58211685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).