N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

C19H20N2O3S — CID 3487957

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H20N2O3S/c1-13-8-9-14(2)18-17(13)12-15(19(22)21-18)10-11-20-25(23,24)16-6-4-3-5-7-16/h3-9,12,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyQABPFBPAPADDSE-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 3487957) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
PubChem CID3487957
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H20N2O3S/c1-13-8-9-14(2)18-17(13)12-15(19(22)21-18)10-11-20-25(23,24)16-6-4-3-5-7-16/h3-9,12,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyQABPFBPAPADDSE-UHFFFAOYSA-N
XLogP2.67
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (CID 3487957) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is QABPFBPAPADDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-8-9-14(2)18-17(13)12-15(19(22)21-18)10-11-20-25(23,24)16-6-4-3-5-7-16/h3-9,12,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3487957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).