N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide

C23H24N2O3S — CID 154529127

IUPACN-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide
SMILESCN1CCc2c(cccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1
InChIInChI=1S/C23H24N2O3S/c1-25-15-14-22-19(16-25)8-5-9-23(22)28-21-12-10-20(11-13-21)24-29(26,27)17-18-6-3-2-4-7-18/h2-13,24H,14-17H2,1H3
InChIKeyINJHHGUNPBKIDL-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.41
Rot. Bonds6

About N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide

N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide (PubChem CID 154529127) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide
PubChem CID154529127
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide
SMILESCN1CCc2c(cccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1
InChIInChI=1S/C23H24N2O3S/c1-25-15-14-22-19(16-25)8-5-9-23(22)28-21-12-10-20(11-13-21)24-29(26,27)17-18-6-3-2-4-7-18/h2-13,24H,14-17H2,1H3
InChIKeyINJHHGUNPBKIDL-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide (CID 154529127) is N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide is CN1CCc2c(cccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is INJHHGUNPBKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-25-15-14-22-19(16-25)8-5-9-23(22)28-21-12-10-20(11-13-21)24-29(26,27)17-18-6-3-2-4-7-18/h2-13,24H,14-17H2,1H3.
What are the key properties of N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide?
N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154529127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).