1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine

C9H9ClF3NO3S2 — CID 121018954

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H9ClF3NO3S2/c10-7-1-2-8(18-7)19(15,16)14-3-6(4-14)17-5-9(11,12)13/h1-2,6H,3-5H2
InChIKeyHHGXUHTVROIIKV-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.35
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine (PubChem CID 121018954) has the molecular formula C9H9ClF3NO3S2 and a molecular weight of 335.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine
PubChem CID121018954
Molecular FormulaC9H9ClF3NO3S2
Molecular Weight335.76 g/mol
Exact Mass334.97
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H9ClF3NO3S2/c10-7-1-2-8(18-7)19(15,16)14-3-6(4-14)17-5-9(11,12)13/h1-2,6H,3-5H2
InChIKeyHHGXUHTVROIIKV-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine (CID 121018954) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine is O=S(=O)(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine?
The InChIKey is HHGXUHTVROIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S2/c10-7-1-2-8(18-7)19(15,16)14-3-6(4-14)17-5-9(11,12)13/h1-2,6H,3-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine has a molecular weight of 335.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(2,2,2-trifluoroethoxy)azetidine is sourced from PubChem (CID 121018954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).