(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C14H19ClF3NO2S — CID 67510512

IUPAC(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H19ClF3NO2S/c1-9(19-22(20)13(2,3)4)10-5-6-12(11(15)7-10)21-8-14(16,17)18/h5-7,9,19H,8H2,1-4H3/t9?,22-/m1/s1
InChIKeyZBJJUEBJLZMISC-XIRQLBIKSA-N
MW357.83 g/mol
LogP4.39
Rot. Bonds5

About (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 67510512) has the molecular formula C14H19ClF3NO2S and a molecular weight of 357.83 g/mol. Its IUPAC name is (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID67510512
Molecular FormulaC14H19ClF3NO2S
Molecular Weight357.83 g/mol
Exact Mass357.08
IUPAC Name(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H19ClF3NO2S/c1-9(19-22(20)13(2,3)4)10-5-6-12(11(15)7-10)21-8-14(16,17)18/h5-7,9,19H,8H2,1-4H3/t9?,22-/m1/s1
InChIKeyZBJJUEBJLZMISC-XIRQLBIKSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 67510512) is (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZBJJUEBJLZMISC-XIRQLBIKSA-N. The full InChI is InChI=1S/C14H19ClF3NO2S/c1-9(19-22(20)13(2,3)4)10-5-6-12(11(15)7-10)21-8-14(16,17)18/h5-7,9,19H,8H2,1-4H3/t9?,22-/m1/s1.
What are the key properties of (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 357.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67510512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).