2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide

C16H16N2O3S — CID 177299347

IUPAC2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C16H16N2O3S/c1-11-4-2-3-5-15(11)22(20,21)18-13-7-6-12-8-9-17-16(19)14(12)10-13/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyJMFVCSQGXMHWFY-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide

2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide (PubChem CID 177299347) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
PubChem CID177299347
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C16H16N2O3S/c1-11-4-2-3-5-15(11)22(20,21)18-13-7-6-12-8-9-17-16(19)14(12)10-13/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyJMFVCSQGXMHWFY-UHFFFAOYSA-N
XLogP2.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524864
4-ethoxy-3,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524927
4-fluoro-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524858
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-2-sulfonamide
CID 90524932
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide (CID 177299347) is 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide?
The InChIKey is JMFVCSQGXMHWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-4-2-3-5-15(11)22(20,21)18-13-7-6-12-8-9-17-16(19)14(12)10-13/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide?
2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 177299347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).