N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide

C23H20N2O3S — CID 118021398

IUPACN-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C23H20N2O3S/c1-25-15-22(18-9-6-10-19(13-18)24-29(2,27)28)21-14-17(11-12-20(21)23(25)26)16-7-4-3-5-8-16/h3-15,24H,1-2H3
InChIKeyPSPDBKYBDYJXRN-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.24
Rot. Bonds4

About N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide

N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide (PubChem CID 118021398) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide
PubChem CID118021398
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C23H20N2O3S/c1-25-15-22(18-9-6-10-19(13-18)24-29(2,27)28)21-14-17(11-12-20(21)23(25)26)16-7-4-3-5-8-16/h3-15,24H,1-2H3
InChIKeyPSPDBKYBDYJXRN-UHFFFAOYSA-N
XLogP4.24
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide (CID 118021398) is N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide is Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(-c3ccccc3)ccc2c1=O.
What is the InChIKey of N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide?
The InChIKey is PSPDBKYBDYJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-25-15-22(18-9-6-10-19(13-18)24-29(2,27)28)21-14-17(11-12-20(21)23(25)26)16-7-4-3-5-8-16/h3-15,24H,1-2H3.
What are the key properties of N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide?
N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1-oxo-6-phenylisoquinolin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 118021398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).