4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline

C15H16FN3O2S — CID 174207411

IUPAC4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline
SMILESC=CS(=O)(=O)N1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H16FN3O2S/c1-2-22(20,21)19-9-7-18(8-10-19)15-5-6-17-14-4-3-12(16)11-13(14)15/h2-6,11H,1,7-10H2
InChIKeyUONGUQLTMGXNMS-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.97
Rot. Bonds3

About 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline

4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline (PubChem CID 174207411) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline.

Molecular Properties

Compound Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline
PubChem CID174207411
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline
SMILESC=CS(=O)(=O)N1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H16FN3O2S/c1-2-22(20,21)19-9-7-18(8-10-19)15-5-6-17-14-4-3-12(16)11-13(14)15/h2-6,11H,1,7-10H2
InChIKeyUONGUQLTMGXNMS-UHFFFAOYSA-N
XLogP1.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline?
The IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline (CID 174207411) is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline.
What is the SMILES notation for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline?
The canonical SMILES for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline is C=CS(=O)(=O)N1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline?
The InChIKey is UONGUQLTMGXNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-2-22(20,21)19-9-7-18(8-10-19)15-5-6-17-14-4-3-12(16)11-13(14)15/h2-6,11H,1,7-10H2.
What are the key properties of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline?
4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline has a molecular weight of 321.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline is sourced from PubChem (CID 174207411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).