4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine

C19H20F3NO3S — CID 56878988

IUPAC4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine
SMILESO=S(=O)(Cc1ccccc1CN1CCOC(C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)18-13-23(10-11-26-18)12-15-6-4-5-7-16(15)14-27(24,25)17-8-2-1-3-9-17/h1-9,18H,10-14H2
InChIKeyJSJZXOVFSKYMME-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.42
Rot. Bonds5

About 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine

4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56878988) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID56878988
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine
SMILESO=S(=O)(Cc1ccccc1CN1CCOC(C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)18-13-23(10-11-26-18)12-15-6-4-5-7-16(15)14-27(24,25)17-8-2-1-3-9-17/h1-9,18H,10-14H2
InChIKeyJSJZXOVFSKYMME-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine (CID 56878988) is 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine is O=S(=O)(Cc1ccccc1CN1CCOC(C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is JSJZXOVFSKYMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c20-19(21,22)18-13-23(10-11-26-18)12-15-6-4-5-7-16(15)14-27(24,25)17-8-2-1-3-9-17/h1-9,18H,10-14H2.
What are the key properties of 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine?
4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 399.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56878988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).