4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine

C8H11F2N3O3S — CID 171315820

IUPAC4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine
SMILESO=S(=O)(c1cn[nH]c1C(F)F)N1CCOCC1
InChIInChI=1S/C8H11F2N3O3S/c9-8(10)7-6(5-11-12-7)17(14,15)13-1-3-16-4-2-13/h5,8H,1-4H2,(H,11,12)
InChIKeyZBZBWKRTMLSWBZ-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.37
Rot. Bonds3

About 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine

4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine (PubChem CID 171315820) has the molecular formula C8H11F2N3O3S and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine
PubChem CID171315820
Molecular FormulaC8H11F2N3O3S
Molecular Weight267.26 g/mol
Exact Mass267.05
IUPAC Name4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine
SMILESO=S(=O)(c1cn[nH]c1C(F)F)N1CCOCC1
InChIInChI=1S/C8H11F2N3O3S/c9-8(10)7-6(5-11-12-7)17(14,15)13-1-3-16-4-2-13/h5,8H,1-4H2,(H,11,12)
InChIKeyZBZBWKRTMLSWBZ-UHFFFAOYSA-N
XLogP0.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine (CID 171315820) is 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine is O=S(=O)(c1cn[nH]c1C(F)F)N1CCOCC1.
What is the InChIKey of 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine?
The InChIKey is ZBZBWKRTMLSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3S/c9-8(10)7-6(5-11-12-7)17(14,15)13-1-3-16-4-2-13/h5,8H,1-4H2,(H,11,12).
What are the key properties of 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine?
4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine has a molecular weight of 267.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(difluoromethyl)-1H-pyrazol-4-yl]sulfonyl]morpholine is sourced from PubChem (CID 171315820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).