2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H18N2O3S2 — CID 27665585

IUPAC2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCSc3ccccc3)ccc2N1
InChIInChI=1S/C17H18N2O3S2/c20-17-9-6-13-12-15(7-8-16(13)19-17)24(21,22)18-10-11-23-14-4-2-1-3-5-14/h1-5,7-8,12,18H,6,9-11H2,(H,19,20)
InChIKeyWOUKRDPYJBOOIL-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.64
Rot. Bonds6

About 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 27665585) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID27665585
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCSc3ccccc3)ccc2N1
InChIInChI=1S/C17H18N2O3S2/c20-17-9-6-13-12-15(7-8-16(13)19-17)24(21,22)18-10-11-23-14-4-2-1-3-5-14/h1-5,7-8,12,18H,6,9-11H2,(H,19,20)
InChIKeyWOUKRDPYJBOOIL-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-(3-carbazol-9-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154858696
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 27665585) is 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCCSc3ccccc3)ccc2N1.
What is the InChIKey of 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is WOUKRDPYJBOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17-9-6-13-12-15(7-8-16(13)19-17)24(21,22)18-10-11-23-14-4-2-1-3-5-14/h1-5,7-8,12,18H,6,9-11H2,(H,19,20).
What are the key properties of 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 27665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).