2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide

C18H20N2O3S — CID 110781617

IUPAC2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-3-7-17(13(2)9-12)24(22,23)19-11-14-4-6-16-15(10-14)5-8-18(21)20-16/h3-4,6-7,9-10,19H,5,8,11H2,1-2H3,(H,20,21)
InChIKeyVBTAZIAXJLBGQY-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.67
Rot. Bonds4

About 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide (PubChem CID 110781617) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide
PubChem CID110781617
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-3-7-17(13(2)9-12)24(22,23)19-11-14-4-6-16-15(10-14)5-8-18(21)20-16/h3-4,6-7,9-10,19H,5,8,11H2,1-2H3,(H,20,21)
InChIKeyVBTAZIAXJLBGQY-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55380299
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 51200460
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide (CID 110781617) is 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCC(=O)N3)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide?
The InChIKey is VBTAZIAXJLBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-3-7-17(13(2)9-12)24(22,23)19-11-14-4-6-16-15(10-14)5-8-18(21)20-16/h3-4,6-7,9-10,19H,5,8,11H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110781617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).