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

C13H14F3N3O3S2 — CID 131913433

IUPAC4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H14F3N3O3S2/c1-8-11(24(20,21)19-2-4-22-5-3-19)7-10(23-8)9-6-12(18-17-9)13(14,15)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyFKAVHTLSBYTZSW-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.49
Rot. Bonds3

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

4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine (PubChem CID 131913433) has the molecular formula C13H14F3N3O3S2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine
PubChem CID131913433
Molecular FormulaC13H14F3N3O3S2
Molecular Weight381.40 g/mol
Exact Mass381.04
IUPAC Name4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H14F3N3O3S2/c1-8-11(24(20,21)19-2-4-22-5-3-19)7-10(23-8)9-6-12(18-17-9)13(14,15)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyFKAVHTLSBYTZSW-UHFFFAOYSA-N
XLogP2.49
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine (CID 131913433) is 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The InChIKey is FKAVHTLSBYTZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S2/c1-8-11(24(20,21)19-2-4-22-5-3-19)7-10(23-8)9-6-12(18-17-9)13(14,15)16/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine has a molecular weight of 381.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylmorpholine is sourced from PubChem (CID 131913433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).