2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one

C16H16N2O3S — CID 178178489

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one
SMILESCc1ccc(S(=O)(=O)N2c3ncccc3C(=O)CC2C)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-5-7-13(8-6-11)22(20,21)18-12(2)10-15(19)14-4-3-9-17-16(14)18/h3-9,12H,10H2,1-2H3
InChIKeyTYYDACZQDBLVOK-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one

2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one (PubChem CID 178178489) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one
PubChem CID178178489
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one
SMILESCc1ccc(S(=O)(=O)N2c3ncccc3C(=O)CC2C)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-5-7-13(8-6-11)22(20,21)18-12(2)10-15(19)14-4-3-9-17-16(14)18/h3-9,12H,10H2,1-2H3
InChIKeyTYYDACZQDBLVOK-UHFFFAOYSA-N
XLogP2.56
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine
CID 11066595
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-2,3-dihydroquinolin-4-one
CID 10432357
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine
CID 139037505
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
CID 141384491

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one (CID 178178489) is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one is Cc1ccc(S(=O)(=O)N2c3ncccc3C(=O)CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one?
The InChIKey is TYYDACZQDBLVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-5-7-13(8-6-11)22(20,21)18-12(2)10-15(19)14-4-3-9-17-16(14)18/h3-9,12H,10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one?
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one has a molecular weight of 316.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one is sourced from PubChem (CID 178178489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).