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

C23H20Cl2N2O3S — CID 1293631

IUPAC4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H20Cl2N2O3S/c24-19-8-10-22(11-9-19)31(29,30)27(21-7-3-6-20(25)14-21)16-23(28)26-13-12-17-4-1-2-5-18(17)15-26/h1-11,14H,12-13,15-16H2
InChIKeyAGKMJJDJPRZJHA-UHFFFAOYSA-N
MW475.40 g/mol
LogP4.77
Rot. Bonds5

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

4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1293631) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1293631
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC Name4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H20Cl2N2O3S/c24-19-8-10-22(11-9-19)31(29,30)27(21-7-3-6-20(25)14-21)16-23(28)26-13-12-17-4-1-2-5-18(17)15-26/h1-11,14H,12-13,15-16H2
InChIKeyAGKMJJDJPRZJHA-UHFFFAOYSA-N
XLogP4.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1000713
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(5,6,7,8-tetrahydro-1-naphthalenyl)glycinamide
CID 2215872
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide
CID 2521144
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2523923
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697728
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2896841
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamide
CID 4486214
N-(3-chloro-4-fluorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4986559
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 18106080
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
CID 2897602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide (CID 1293631) is 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide is O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is AGKMJJDJPRZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c24-19-8-10-22(11-9-19)31(29,30)27(21-7-3-6-20(25)14-21)16-23(28)26-13-12-17-4-1-2-5-18(17)15-26/h1-11,14H,12-13,15-16H2.
What are the key properties of 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide?
4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 475.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1293631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).