4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine

C11H10Cl2F3NO3S — CID 2741278

IUPAC4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H10Cl2F3NO3S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(18,19)17-1-3-20-4-2-17/h5-6H,1-4H2
InChIKeyLABUARYWOJOOJH-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.03
Rot. Bonds2

About 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine

4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine (PubChem CID 2741278) has the molecular formula C11H10Cl2F3NO3S and a molecular weight of 364.17 g/mol. Its IUPAC name is 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine
PubChem CID2741278
Molecular FormulaC11H10Cl2F3NO3S
Molecular Weight364.17 g/mol
Exact Mass362.97
IUPAC Name4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H10Cl2F3NO3S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(18,19)17-1-3-20-4-2-17/h5-6H,1-4H2
InChIKeyLABUARYWOJOOJH-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine (CID 2741278) is 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine is O=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCOCC1.
What is the InChIKey of 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine?
The InChIKey is LABUARYWOJOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO3S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(18,19)17-1-3-20-4-2-17/h5-6H,1-4H2.
What are the key properties of 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine?
4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine has a molecular weight of 364.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).