4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine

C12H12F3N3O3S2 — CID 53083785

IUPAC4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCOCC1
InChIInChI=1S/C12H12F3N3O3S2/c13-12(14,15)10-7-8(16-17-10)9-1-2-11(22-9)23(19,20)18-3-5-21-6-4-18/h1-2,7H,3-6H2,(H,16,17)
InChIKeyOPTGZNVMUBXBEQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.18
Rot. Bonds3

About 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine

4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine (PubChem CID 53083785) has the molecular formula C12H12F3N3O3S2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine
PubChem CID53083785
Molecular FormulaC12H12F3N3O3S2
Molecular Weight367.37 g/mol
Exact Mass367.03
IUPAC Name4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCOCC1
InChIInChI=1S/C12H12F3N3O3S2/c13-12(14,15)10-7-8(16-17-10)9-1-2-11(22-9)23(19,20)18-3-5-21-6-4-18/h1-2,7H,3-6H2,(H,16,17)
InChIKeyOPTGZNVMUBXBEQ-UHFFFAOYSA-N
XLogP2.18
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine (CID 53083785) is 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCOCC1.
What is the InChIKey of 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine?
The InChIKey is OPTGZNVMUBXBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S2/c13-12(14,15)10-7-8(16-17-10)9-1-2-11(22-9)23(19,20)18-3-5-21-6-4-18/h1-2,7H,3-6H2,(H,16,17).
What are the key properties of 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine?
4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine has a molecular weight of 367.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 53083785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).