N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H25N3O6S2 — CID 24604890

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-30-17-3-5-18(6-4-17)32(28,29)24-12-10-16(11-13-24)23-31(26,27)19-7-8-20-15(14-19)2-9-21(25)22-20/h3-8,14,16,23H,2,9-13H2,1H3,(H,22,25)
InChIKeyPZVZPZZVOJWJHK-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.71
Rot. Bonds6

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 24604890) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID24604890
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-30-17-3-5-18(6-4-17)32(28,29)24-12-10-16(11-13-24)23-31(26,27)19-7-8-20-15(14-19)2-9-21(25)22-20/h3-8,14,16,23H,2,9-13H2,1H3,(H,22,25)
InChIKeyPZVZPZZVOJWJHK-UHFFFAOYSA-N
XLogP1.71
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3239722
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
CID 155960607
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3240670
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 24604890) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is PZVZPZZVOJWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-30-17-3-5-18(6-4-17)32(28,29)24-12-10-16(11-13-24)23-31(26,27)19-7-8-20-15(14-19)2-9-21(25)22-20/h3-8,14,16,23H,2,9-13H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 479.58 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 24604890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).