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

C19H24N2O2S — CID 2314619

IUPACN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,20-24(22,23)18-10-4-3-5-11-18)15-21-13-12-16-8-6-7-9-17(16)14-21/h3-11,20H,12-15H2,1-2H3
InChIKeyCVOVUBHGVOGZJI-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds5

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

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2314619) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2314619
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,20-24(22,23)18-10-4-3-5-11-18)15-21-13-12-16-8-6-7-9-17(16)14-21/h3-11,20H,12-15H2,1-2H3
InChIKeyCVOVUBHGVOGZJI-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide 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-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2314582
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanal
CID 62277527
2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 141217654
3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]benzenesulfonamide
CID 35408348
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427470
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314590
4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
CID 110370945
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide (CID 2314619) is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide is CC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is CVOVUBHGVOGZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,20-24(22,23)18-10-4-3-5-11-18)15-21-13-12-16-8-6-7-9-17(16)14-21/h3-11,20H,12-15H2,1-2H3.
What are the key properties of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide?
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2314619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).