4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine

C13H15ClF3NO3S — CID 2940253

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C13H15ClF3NO3S/c1-8-6-18(7-9(2)21-8)22(19,20)10-3-4-12(14)11(5-10)13(15,16)17/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMEBBYUIDJURODJ-UHFFFAOYSA-N
MW357.78 g/mol
LogP3.16
Rot. Bonds2

About 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine

4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 2940253) has the molecular formula C13H15ClF3NO3S and a molecular weight of 357.78 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
PubChem CID2940253
Molecular FormulaC13H15ClF3NO3S
Molecular Weight357.78 g/mol
Exact Mass357.04
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C13H15ClF3NO3S/c1-8-6-18(7-9(2)21-8)22(19,20)10-3-4-12(14)11(5-10)13(15,16)17/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMEBBYUIDJURODJ-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747984
4-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1582747
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 697899
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-4-ethylpiperazine
CID 1190478
4-(4-Chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
CID 2805841
1-[4-Chloro-3-(trifluoromethyl)phenylsulfonyl]-2-methylpiperidine
CID 2939459
4-Chloro-N,3-dimethyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905241
1-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl}-4-methylpiperazine
CID 697845
4-[4-Chloro-3-(trifluoromethyl)benzenesulfonyl]morpholine
CID 697898
4-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylmorpholine
CID 801301
1-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl}-4-methylpiperidine
CID 829671

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine (CID 2940253) is 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is MEBBYUIDJURODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO3S/c1-8-6-18(7-9(2)21-8)22(19,20)10-3-4-12(14)11(5-10)13(15,16)17/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine?
4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 357.78 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2940253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).