(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide

C19H22F3NO2S — CID 139042281

IUPAC(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H22F3NO2S/c1-17(2,3)26(25)23-16(14-10-6-4-7-11-14)18(24,19(20,21)22)15-12-8-5-9-13-15/h4-13,16,23-24H,1-3H3/t16-,18+,26+/m0/s1
InChIKeyQHBBYVZNCAEZJG-ZTBAGHRESA-N
MW385.45 g/mol
LogP4.23
Rot. Bonds5

About (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide (PubChem CID 139042281) has the molecular formula C19H22F3NO2S and a molecular weight of 385.45 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide
PubChem CID139042281
Molecular FormulaC19H22F3NO2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H22F3NO2S/c1-17(2,3)26(25)23-16(14-10-6-4-7-11-14)18(24,19(20,21)22)15-12-8-5-9-13-15/h4-13,16,23-24H,1-3H3/t16-,18+,26+/m0/s1
InChIKeyQHBBYVZNCAEZJG-ZTBAGHRESA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide (CID 139042281) is (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide?
The InChIKey is QHBBYVZNCAEZJG-ZTBAGHRESA-N. The full InChI is InChI=1S/C19H22F3NO2S/c1-17(2,3)26(25)23-16(14-10-6-4-7-11-14)18(24,19(20,21)22)15-12-8-5-9-13-15/h4-13,16,23-24H,1-3H3/t16-,18+,26+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide has a molecular weight of 385.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropyl]propane-2-sulfinamide is sourced from PubChem (CID 139042281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).