N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide

C18H20N2O3S — CID 169372782

IUPACN-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)NC3)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-8-15(9-5-12)24(22,23)20-14-7-6-13-11-19-17(21)18(2,3)16(13)10-14/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyDWSJHEDSSXTFCG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.70
Rot. Bonds3

About N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide

N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 169372782) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
PubChem CID169372782
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)NC3)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-8-15(9-5-12)24(22,23)20-14-7-6-13-11-19-17(21)18(2,3)16(13)10-14/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyDWSJHEDSSXTFCG-UHFFFAOYSA-N
XLogP2.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide
CID 164983603
4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
CID 169371950
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
2-[(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)hydrazinylidene]propanedinitrile
CID 169341138
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110405797
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938613

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide (CID 169372782) is N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)NC3)cc1.
What is the InChIKey of N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is DWSJHEDSSXTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-8-15(9-5-12)24(22,23)20-14-7-6-13-11-19-17(21)18(2,3)16(13)10-14/h4-10,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide?
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).