N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide

C19H21ClN2O3S — CID 2304343

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(12-15-6-8-18(20)9-7-15)14-19(23)21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-14H2,1H3
InChIKeyYJWLDNGEFUHRFA-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 2304343) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
PubChem CID2304343
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(12-15-6-8-18(20)9-7-15)14-19(23)21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-14H2,1H3
InChIKeyYJWLDNGEFUHRFA-UHFFFAOYSA-N
XLogP2.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095903
2-[(3-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095911
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 2231446
N-Benzyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methanesulfonamide
CID 1082605
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 3163719
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4830068
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16289085
4-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 1073013
N-(4-chlorobenzyl)-N-[2-oxo-2-(1-piperidinyl)ethyl]methanesulfonamide
CID 2224290
N~1~-benzyl-N~2~-(4-chlorobenzyl)-N~2~-(methylsulfonyl)glycinamide
CID 2243231
[(2S,4S)-1-[(3-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110876132
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 1090894

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide (CID 2304343) is N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is YJWLDNGEFUHRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)22(12-15-6-8-18(20)9-7-15)14-19(23)21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 2304343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).