4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine

C14H18F3NO3S — CID 56879782

IUPAC4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C14H18F3NO3S/c1-2-3-11-4-6-12(7-5-11)22(19,20)18-8-9-21-13(10-18)14(15,16)17/h4-7,13H,2-3,8-10H2,1H3
InChIKeyGARLMESRKJODOC-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.59
Rot. Bonds4

About 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine

4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine (PubChem CID 56879782) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine
PubChem CID56879782
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C14H18F3NO3S/c1-2-3-11-4-6-12(7-5-11)22(19,20)18-8-9-21-13(10-18)14(15,16)17/h4-7,13H,2-3,8-10H2,1H3
InChIKeyGARLMESRKJODOC-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine (CID 56879782) is 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine is CCCc1ccc(S(=O)(=O)N2CCOC(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine?
The InChIKey is GARLMESRKJODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-2-3-11-4-6-12(7-5-11)22(19,20)18-8-9-21-13(10-18)14(15,16)17/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine?
4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine has a molecular weight of 337.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)sulfonyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56879782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).