4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline

C18H16F3N3O2S2 — CID 2809484

IUPAC4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
SMILESO=S(=O)(c1cccs1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)16-12-15(13-4-1-2-5-14(13)22-16)23-7-9-24(10-8-23)28(25,26)17-6-3-11-27-17/h1-6,11-12H,7-10H2
InChIKeyWIOZLSPCVINGNP-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline

4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline (PubChem CID 2809484) has the molecular formula C18H16F3N3O2S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
PubChem CID2809484
Molecular FormulaC18H16F3N3O2S2
Molecular Weight427.47 g/mol
Exact Mass427.06
IUPAC Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
SMILESO=S(=O)(c1cccs1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)16-12-15(13-4-1-2-5-14(13)22-16)23-7-9-24(10-8-23)28(25,26)17-6-3-11-27-17/h1-6,11-12H,7-10H2
InChIKeyWIOZLSPCVINGNP-UHFFFAOYSA-N
XLogP3.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline (CID 2809484) is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline is O=S(=O)(c1cccs1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The InChIKey is WIOZLSPCVINGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S2/c19-18(20,21)16-12-15(13-4-1-2-5-14(13)22-16)23-7-9-24(10-8-23)28(25,26)17-6-3-11-27-17/h1-6,11-12H,7-10H2.
What are the key properties of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline has a molecular weight of 427.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2809484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).