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

C14H20ClF2NO2S — CID 87426486

IUPAC(R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C14H20ClF2NO2S/c1-9(18-21(19)14(2,3)4)10-5-6-12(11(15)7-10)20-8-13(16)17/h5-7,9,13,18H,8H2,1-4H3/t9?,21-/m1/s1
InChIKeyANBXSCSFKRLNSZ-SSKGYDFUSA-N
MW339.84 g/mol
LogP4.10
Rot. Bonds6

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

(R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 87426486) has the molecular formula C14H20ClF2NO2S and a molecular weight of 339.84 g/mol. Its IUPAC name is (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID87426486
Molecular FormulaC14H20ClF2NO2S
Molecular Weight339.84 g/mol
Exact Mass339.09
IUPAC Name(R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C14H20ClF2NO2S/c1-9(18-21(19)14(2,3)4)10-5-6-12(11(15)7-10)20-8-13(16)17/h5-7,9,13,18H,8H2,1-4H3/t9?,21-/m1/s1
InChIKeyANBXSCSFKRLNSZ-SSKGYDFUSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 87426486) is (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)F)c(Cl)c1.
What is the InChIKey of (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ANBXSCSFKRLNSZ-SSKGYDFUSA-N. The full InChI is InChI=1S/C14H20ClF2NO2S/c1-9(18-21(19)14(2,3)4)10-5-6-12(11(15)7-10)20-8-13(16)17/h5-7,9,13,18H,8H2,1-4H3/t9?,21-/m1/s1.
What are the key properties of (R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 339.84 g/mol, XLogP of 4.10, 6 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-difluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87426486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).