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

C17H20N2O2S — CID 35391328

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-8-2-1-3-9-17)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h1-9,18H,10-14H2
InChIKeyFMKAPYBPKCETEH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide (PubChem CID 35391328) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
PubChem CID35391328
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-8-2-1-3-9-17)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h1-9,18H,10-14H2
InChIKeyFMKAPYBPKCETEH-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 19094007
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 42428482
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 21092275
3-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzene-1,3-disulfonamide
CID 55603624
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
CID 47371840
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]benzenesulfonamide
CID 16890212
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3-fluorobenzenesulfonamide
CID 21092396
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 68967870
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-propan-2-yloxybenzenesulfonamide
CID 21092272
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(trifluoromethyl)benzenesulfonamide
CID 21092268
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46361480
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-imidazole-2-sulfonamide
CID 136545473

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide (CID 35391328) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is FMKAPYBPKCETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,17-8-2-1-3-9-17)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h1-9,18H,10-14H2.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 35391328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).