(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C14H19ClF3NOS — CID 67345793

IUPAC(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc(C)c1Cl
InChIInChI=1S/C14H19ClF3NOS/c1-8-6-10(7-9(2)11(8)15)12(14(16,17)18)19-21(20)13(3,4)5/h6-7,12,19H,1-5H3/t12-,21+/m0/s1
InChIKeyFVBAISFNXHFJMY-LAJNKCICSA-N
MW341.83 g/mol
LogP4.61
Rot. Bonds3

About (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 67345793) has the molecular formula C14H19ClF3NOS and a molecular weight of 341.83 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID67345793
Molecular FormulaC14H19ClF3NOS
Molecular Weight341.83 g/mol
Exact Mass341.08
IUPAC Name(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc(C)c1Cl
InChIInChI=1S/C14H19ClF3NOS/c1-8-6-10(7-9(2)11(8)15)12(14(16,17)18)19-21(20)13(3,4)5/h6-7,12,19H,1-5H3/t12-,21+/m0/s1
InChIKeyFVBAISFNXHFJMY-LAJNKCICSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 67345793) is (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc(C)c1Cl.
What is the InChIKey of (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is FVBAISFNXHFJMY-LAJNKCICSA-N. The full InChI is InChI=1S/C14H19ClF3NOS/c1-8-6-10(7-9(2)11(8)15)12(14(16,17)18)19-21(20)13(3,4)5/h6-7,12,19H,1-5H3/t12-,21+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 341.83 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67345793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).