4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide

C18H22N2O3S — CID 46662665

IUPAC4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide
SMILESCC1CCc2ccccc2N1CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-6-7-15-4-2-3-5-18(15)20(14)12-13-23-16-8-10-17(11-9-16)24(19,21)22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,19,21,22)
InChIKeyXKTBDFBICNUKGD-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds5

About 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide

4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 46662665) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide
PubChem CID46662665
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide
SMILESCC1CCc2ccccc2N1CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-6-7-15-4-2-3-5-18(15)20(14)12-13-23-16-8-10-17(11-9-16)24(19,21)22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,19,21,22)
InChIKeyXKTBDFBICNUKGD-UHFFFAOYSA-N
XLogP2.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
4-[2-(5-methyl-1,4-thiazepan-4-yl)ethoxy]benzenesulfonamide
CID 131960751
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
CID 43365585
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63028861

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide (CID 46662665) is 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide is CC1CCc2ccccc2N1CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is XKTBDFBICNUKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-6-7-15-4-2-3-5-18(15)20(14)12-13-23-16-8-10-17(11-9-16)24(19,21)22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,19,21,22).
What are the key properties of 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide?
4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 46662665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).