3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

C17H17ClN2O3S — CID 110370874

IUPAC3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c18-14-7-3-8-15(11-14)24(22,23)19-12-17(21)20-10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11,19H,4,6,10,12H2
InChIKeyMEVJGONWGUWJKR-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 110370874) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID110370874
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c18-14-7-3-8-15(11-14)24(22,23)19-12-17(21)20-10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11,19H,4,6,10,12H2
InChIKeyMEVJGONWGUWJKR-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154838378
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31345891
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110370846
2-[(4-chloro-2-fluorophenyl)methylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 138044572
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983775
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 110370874) is 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is MEVJGONWGUWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-7-3-8-15(11-14)24(22,23)19-12-17(21)20-10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11,19H,4,6,10,12H2.
What are the key properties of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 110370874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).