(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C12H14ClF4NOS — CID 134586243

IUPAC(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1cc(Cl)ccc1F)C(F)(F)F
InChIInChI=1S/C12H14ClF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6,10,18H,1-3H3/t10-,20-/m1/s1
InChIKeyZUURZVJWBMHTIJ-CFMSYZGJSA-N
MW331.76 g/mol
LogP4.13
Rot. Bonds3

About (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134586243) has the molecular formula C12H14ClF4NOS and a molecular weight of 331.76 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID134586243
Molecular FormulaC12H14ClF4NOS
Molecular Weight331.76 g/mol
Exact Mass331.04
IUPAC Name(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1cc(Cl)ccc1F)C(F)(F)F
InChIInChI=1S/C12H14ClF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6,10,18H,1-3H3/t10-,20-/m1/s1
InChIKeyZUURZVJWBMHTIJ-CFMSYZGJSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-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

Related Compounds

1-(3-Chloro-4-fluorophenyl)ethan-1-amine
CID 18543184
(1R)-1-(3-chloro-2-fluorophenyl)ethan-1-amine
CID 45072168
(1R)-1-(3-chloro-4-fluorophenyl)ethan-1-amine hydrochloride
CID 53350402
(1R)-1-(5-chloro-2-fluorophenyl)ethan-1-amine hydrochloride
CID 53484674
(s)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride
CID 53484825
(1S)-1-(5-chloro-2-fluorophenyl)ethan-1-amine hydrochloride
CID 71757650
1-(3-Chloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride
CID 86775706
1-(3-Chlorophenyl)-2-fluoroethanamine
CID 16228761
N-[(2-chloro-6-fluorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604298
N-[(3-chloro-6-fluoro-2-methylphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604300
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604315
N-[(3-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604610

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 134586243) is (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](c1cc(Cl)ccc1F)C(F)(F)F.
What is the InChIKey of (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZUURZVJWBMHTIJ-CFMSYZGJSA-N. The full InChI is InChI=1S/C12H14ClF4NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-6-7(13)4-5-9(8)14/h4-6,10,18H,1-3H3/t10-,20-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 331.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134586243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).