8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline

C20H20FN3O2S — CID 1299981

IUPAC8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1
InChIInChI=1S/C20H20FN3O2S/c1-15-9-10-16-5-4-8-19(20(16)22-15)27(25,26)24-13-11-23(12-14-24)18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3
InChIKeyYIGHSKMMVNVMDG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.19
Rot. Bonds3

About 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline

8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline (PubChem CID 1299981) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline.

Molecular Properties

Compound Name8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline
PubChem CID1299981
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1
InChIInChI=1S/C20H20FN3O2S/c1-15-9-10-16-5-4-8-19(20(16)22-15)27(25,26)24-13-11-23(12-14-24)18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3
InChIKeyYIGHSKMMVNVMDG-UHFFFAOYSA-N
XLogP3.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline?
The IUPAC name of 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline (CID 1299981) is 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline.
What is the SMILES notation for 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline?
The canonical SMILES for 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline is Cc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1.
What is the InChIKey of 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline?
The InChIKey is YIGHSKMMVNVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-15-9-10-16-5-4-8-19(20(16)22-15)27(25,26)24-13-11-23(12-14-24)18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3.
What are the key properties of 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline?
8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline has a molecular weight of 385.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylquinoline is sourced from PubChem (CID 1299981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).