N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C18H22N2O3S — CID 136525184

IUPACN-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H22N2O3S/c1-15(21)13-20(18-9-3-2-4-10-18)24(22,23)19-12-11-16-7-5-6-8-17(16)14-19/h2-10,15,21H,11-14H2,1H3
InChIKeyYMCJMCFXGUKTEN-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.18
Rot. Bonds5

About N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 136525184) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID136525184
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H22N2O3S/c1-15(21)13-20(18-9-3-2-4-10-18)24(22,23)19-12-11-16-7-5-6-8-17(16)14-19/h2-10,15,21H,11-14H2,1H3
InChIKeyYMCJMCFXGUKTEN-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 61448473
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-(azetidin-3-yl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66186857
N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 53499305
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-methylpropanoic acid
CID 62675363
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55598828
(2R)-2-[1,3-dihydroisoindol-2-ylsulfonyl(methyl)amino]propanoic acid
CID 167837249
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104873267
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 30747014
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 43049567
N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 102675892

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 136525184) is N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is YMCJMCFXGUKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15(21)13-20(18-9-3-2-4-10-18)24(22,23)19-12-11-16-7-5-6-8-17(16)14-19/h2-10,15,21H,11-14H2,1H3.
What are the key properties of N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 136525184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).