N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide

C19H24N2O3S — CID 11325873

IUPACN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-8-17-15-21(13-10-16(17)14-18)12-5-11-20-25(22,23)19-6-3-2-4-7-19/h2-4,6-9,14,20H,5,10-13,15H2,1H3
InChIKeyUERAFUWGDPQYCU-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.42
Rot. Bonds7

About N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide

N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide (PubChem CID 11325873) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
PubChem CID11325873
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-8-17-15-21(13-10-16(17)14-18)12-5-11-20-25(22,23)19-6-3-2-4-7-19/h2-4,6-9,14,20H,5,10-13,15H2,1H3
InChIKeyUERAFUWGDPQYCU-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide (CID 11325873) is N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide is COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide?
The InChIKey is UERAFUWGDPQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-18-9-8-17-15-21(13-10-16(17)14-18)12-5-11-20-25(22,23)19-6-3-2-4-7-19/h2-4,6-9,14,20H,5,10-13,15H2,1H3.
What are the key properties of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide?
N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 11325873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).