3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide

C18H20N2O3S — CID 51160598

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-2-19-24(22,23)16-10-5-8-15(13-16)18(21)20-12-6-9-14-7-3-4-11-17(14)20/h3-5,7-8,10-11,13,19H,2,6,9,12H2,1H3
InChIKeyYFMYGWYQEKWPBW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.58
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide (PubChem CID 51160598) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
PubChem CID51160598
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-2-19-24(22,23)16-10-5-8-15(13-16)18(21)20-12-6-9-14-7-3-4-11-17(14)20/h3-5,7-8,10-11,13,19H,2,6,9,12H2,1H3
InChIKeyYFMYGWYQEKWPBW-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 109064798
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide (CID 51160598) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide?
The InChIKey is YFMYGWYQEKWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-19-24(22,23)16-10-5-8-15(13-16)18(21)20-12-6-9-14-7-3-4-11-17(14)20/h3-5,7-8,10-11,13,19H,2,6,9,12H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 51160598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).