N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide

C17H18Cl2N2O2S — CID 10134662

IUPACN-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H18Cl2N2O2S/c1-21-9-15(14-7-12(18)8-17(19)16(14)10-21)11-3-5-13(6-4-11)20-24(2,22)23/h3-8,15,20H,9-10H2,1-2H3
InChIKeyRXJOGSUJFYNTKI-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.94
Rot. Bonds3

About N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide

N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide (PubChem CID 10134662) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide
PubChem CID10134662
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC NameN-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H18Cl2N2O2S/c1-21-9-15(14-7-12(18)8-17(19)16(14)10-21)11-3-5-13(6-4-11)20-24(2,22)23/h3-8,15,20H,9-10H2,1-2H3
InChIKeyRXJOGSUJFYNTKI-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-isopentylpiperidine-3-sulfonamide
CID 46216705
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-isobutylpiperidine-3-sulfonamide
CID 46216706
N-(((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)propane-1-sulfonamide
CID 46229827
2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfamoylamino]ethylphosphonic acid
CID 67460133
N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 11037373
N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 11810334
N-[2-(4-chlorophenyl)ethyl]-7-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 15982863
N-[2-(4-chlorophenyl)ethyl]-6-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 15982865
2-(N-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)sulfamoylamino)ethylphosphonic acid
CID 67460129
[4-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]phenyl]methylphosphonic acid
CID 67457748
4-(3-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)benzylphosphonic acid
CID 67460073
[4-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]phenyl]phosphonic acid
CID 67460897

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide (CID 10134662) is N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide?
The InChIKey is RXJOGSUJFYNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-21-9-15(14-7-12(18)8-17(19)16(14)10-21)11-3-5-13(6-4-11)20-24(2,22)23/h3-8,15,20H,9-10H2,1-2H3.
What are the key properties of N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide?
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide has a molecular weight of 385.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 10134662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).