N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide

C21H21FN4O3S — CID 16748387

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4O3S/c22-17-6-1-2-8-19(17)25-11-13-26(14-12-25)21(27)15-24-30(28,29)20-9-3-7-18-16(20)5-4-10-23-18/h1-10,24H,11-15H2
InChIKeyVVGDALNRAPAUGX-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.00
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide (PubChem CID 16748387) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide
PubChem CID16748387
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4O3S/c22-17-6-1-2-8-19(17)25-11-13-26(14-12-25)21(27)15-24-30(28,29)20-9-3-7-18-16(20)5-4-10-23-18/h1-10,24H,11-15H2
InChIKeyVVGDALNRAPAUGX-UHFFFAOYSA-N
XLogP2.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994726
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylisoquinolin-1-one
CID 46247927
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
CID 9082260
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 167988550

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide (CID 16748387) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide is O=C(CNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide?
The InChIKey is VVGDALNRAPAUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c22-17-6-1-2-8-19(17)25-11-13-26(14-12-25)21(27)15-24-30(28,29)20-9-3-7-18-16(20)5-4-10-23-18/h1-10,24H,11-15H2.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide has a molecular weight of 428.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 16748387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).