4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C16H19F2N3O3S — CID 133364983

IUPAC4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)F)CCO2)cn1
InChIInChI=1S/C16H19F2N3O3S/c1-16(12-9-19-20(2)10-12)11-21(7-8-24-16)13-5-3-4-6-14(13)25(22,23)15(17)18/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyFWSWNKCAJNDVJM-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.17
Rot. Bonds4

About 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133364983) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133364983
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)F)CCO2)cn1
InChIInChI=1S/C16H19F2N3O3S/c1-16(12-9-19-20(2)10-12)11-21(7-8-24-16)13-5-3-4-6-14(13)25(22,23)15(17)18/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyFWSWNKCAJNDVJM-UHFFFAOYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133364983) is 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)F)CCO2)cn1.
What is the InChIKey of 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is FWSWNKCAJNDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-16(12-9-19-20(2)10-12)11-21(7-8-24-16)13-5-3-4-6-14(13)25(22,23)15(17)18/h3-6,9-10,15H,7-8,11H2,1-2H3.
What are the key properties of 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 371.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonyl)phenyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133364983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).