6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline

C20H19F2N3O4S2 — CID 53491017

IUPAC6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline
SMILESCS(=O)(=O)N1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H19F2N3O4S2/c1-30(26,27)25-9-7-24(8-10-25)20-17-12-15(22)5-6-18(17)23-13-19(20)31(28,29)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3
InChIKeyXGHDYCASQQVOGJ-UHFFFAOYSA-N
MW467.52 g/mol
LogP2.43
Rot. Bonds4

About 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline

6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline (PubChem CID 53491017) has the molecular formula C20H19F2N3O4S2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline
PubChem CID53491017
Molecular FormulaC20H19F2N3O4S2
Molecular Weight467.52 g/mol
Exact Mass467.08
IUPAC Name6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline
SMILESCS(=O)(=O)N1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H19F2N3O4S2/c1-30(26,27)25-9-7-24(8-10-25)20-17-12-15(22)5-6-18(17)23-13-19(20)31(28,29)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3
InChIKeyXGHDYCASQQVOGJ-UHFFFAOYSA-N
XLogP2.43
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 20882619
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinoline
CID 18590830
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
CID 56923459
[4-(4-benzylpiperidin-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 151062239
[6-fluoro-4-[4-(2-hydroxyethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 155092572
4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
CID 7184158
4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
CID 71587769
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
CID 16807335
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone;hydrochloride
CID 126851117
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline?
The IUPAC name of 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline (CID 53491017) is 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline is CS(=O)(=O)N1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline?
The InChIKey is XGHDYCASQQVOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S2/c1-30(26,27)25-9-7-24(8-10-25)20-17-12-15(22)5-6-18(17)23-13-19(20)31(28,29)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline?
6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline has a molecular weight of 467.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline is sourced from PubChem (CID 53491017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).