N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H17ClN2O3S — CID 8800124

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c1-11(14-4-2-3-5-15(14)18)20-24(22,23)13-7-8-16-12(10-13)6-9-17(21)19-16/h2-5,7-8,10-11,20H,6,9H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyFNZTVDGLFSQTLP-NSHDSACASA-N
MW364.85 g/mol
LogP3.26
Rot. Bonds4

About N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8800124) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8800124
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c1-11(14-4-2-3-5-15(14)18)20-24(22,23)13-7-8-16-12(10-13)6-9-17(21)19-16/h2-5,7-8,10-11,20H,6,9H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyFNZTVDGLFSQTLP-NSHDSACASA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-[1-(2-methylphenyl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029572
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864432
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 52524073
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 28537936
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 40798724

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8800124) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is FNZTVDGLFSQTLP-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11(14-4-2-3-5-15(14)18)20-24(22,23)13-7-8-16-12(10-13)6-9-17(21)19-16/h2-5,7-8,10-11,20H,6,9H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8800124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).