1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide

C19H21ClN2O3S — CID 16943878

IUPAC1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
SMILESCCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H21ClN2O3S/c1-2-19(23)22-9-8-15-6-7-18(11-16(15)12-22)21-26(24,25)13-14-4-3-5-17(20)10-14/h3-7,10-11,21H,2,8-9,12-13H2,1H3
InChIKeyFNSWJRCGKXOPGY-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.58
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide

1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide (PubChem CID 16943878) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
PubChem CID16943878
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
SMILESCCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H21ClN2O3S/c1-2-19(23)22-9-8-15-6-7-18(11-16(15)12-22)21-26(24,25)13-14-4-3-5-17(20)10-14/h3-7,10-11,21H,2,8-9,12-13H2,1H3
InChIKeyFNSWJRCGKXOPGY-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide 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-{4-[(5-chloro-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]phenyl}acetamide
CID 1261961
N-[(3S)-2-[3-(3-chlorophenyl)propanoyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid
CID 11236319
2-chloro-N-(2-(propylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 16931031
6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 164614702
N-[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-2-(propylsulfonylamino)acetamide
CID 68344350
1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
CID 131800983
2-chloro-N-(2-(ethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-6-fluorobenzamide
CID 16930871
N-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-fluorobenzenesulfonamide
CID 16943733
N-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-1-(2-fluorophenyl)methanesulfonamide
CID 16943779
N-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 16943781
2-fluoro-N-(2-isobutyryl-1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 16943898
4-fluoro-N-(2-isobutyryl-1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 16943901

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide (CID 16943878) is 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide is CCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide?
The InChIKey is FNSWJRCGKXOPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-19(23)22-9-8-15-6-7-18(11-16(15)12-22)21-26(24,25)13-14-4-3-5-17(20)10-14/h3-7,10-11,21H,2,8-9,12-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide?
1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide is sourced from PubChem (CID 16943878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).