4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

C18H18N2O4S — CID 110325662

IUPAC4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-11-10-14-12-13-4-2-3-5-17(13)20-18(14)21/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyKVVIEGQHKWUKNU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.06
Rot. Bonds6

About 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 110325662) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
PubChem CID110325662
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-11-10-14-12-13-4-2-3-5-17(13)20-18(14)21/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyKVVIEGQHKWUKNU-UHFFFAOYSA-N
XLogP2.06
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110326072
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one
CID 110609025
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325623
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (CID 110325662) is 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KVVIEGQHKWUKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-11-10-14-12-13-4-2-3-5-17(13)20-18(14)21/h2-9,12,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110325662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).