N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide

C18H16ClF3N2O5S — CID 2797616

IUPACN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Cl)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F
InChIInChI=1S/C18H16ClF3N2O5S/c19-14-2-1-3-15(23-17(25)18(20,21)22)16(14)29-12-4-6-13(7-5-12)30(26,27)24-8-10-28-11-9-24/h1-7H,8-11H2,(H,23,25)
InChIKeyJQYFWASXRJJWRG-UHFFFAOYSA-N
MW464.85 g/mol
LogP3.65
Rot. Bonds5

About N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide

N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2797616) has the molecular formula C18H16ClF3N2O5S and a molecular weight of 464.85 g/mol. Its IUPAC name is N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide
PubChem CID2797616
Molecular FormulaC18H16ClF3N2O5S
Molecular Weight464.85 g/mol
Exact Mass464.04
IUPAC NameN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Cl)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F
InChIInChI=1S/C18H16ClF3N2O5S/c19-14-2-1-3-15(23-17(25)18(20,21)22)16(14)29-12-4-6-13(7-5-12)30(26,27)24-8-10-28-11-9-24/h1-7H,8-11H2,(H,23,25)
InChIKeyJQYFWASXRJJWRG-UHFFFAOYSA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide (CID 2797616) is N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccc(Cl)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F.
What is the InChIKey of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is JQYFWASXRJJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O5S/c19-14-2-1-3-15(23-17(25)18(20,21)22)16(14)29-12-4-6-13(7-5-12)30(26,27)24-8-10-28-11-9-24/h1-7H,8-11H2,(H,23,25).
What are the key properties of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 464.85 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).