(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide

C16H22F5NO2S — CID 86732258

IUPAC(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
SMILESCc1cccc([C@](CF)(C[C@H](O)C(F)(F)F)N[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C16H22F5NO2S/c1-10-6-5-7-11(13(10)18)15(9-17,8-12(23)16(19,20)21)22-25(24)14(2,3)4/h5-7,12,22-23H,8-9H2,1-4H3/t12-,15+,25+/m0/s1
InChIKeySOCSIXPZHRXWKN-UUTKNXGPSA-N
MW387.41 g/mol
LogP3.66
Rot. Bonds6

About (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide (PubChem CID 86732258) has the molecular formula C16H22F5NO2S and a molecular weight of 387.41 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
PubChem CID86732258
Molecular FormulaC16H22F5NO2S
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
SMILESCc1cccc([C@](CF)(C[C@H](O)C(F)(F)F)N[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C16H22F5NO2S/c1-10-6-5-7-11(13(10)18)15(9-17,8-12(23)16(19,20)21)22-25(24)14(2,3)4/h5-7,12,22-23H,8-9H2,1-4H3/t12-,15+,25+/m0/s1
InChIKeySOCSIXPZHRXWKN-UUTKNXGPSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.66
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-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide (CID 86732258) is (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide is Cc1cccc([C@](CF)(C[C@H](O)C(F)(F)F)N[S@](=O)C(C)(C)C)c1F.
What is the InChIKey of (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The InChIKey is SOCSIXPZHRXWKN-UUTKNXGPSA-N. The full InChI is InChI=1S/C16H22F5NO2S/c1-10-6-5-7-11(13(10)18)15(9-17,8-12(23)16(19,20)21)22-25(24)14(2,3)4/h5-7,12,22-23H,8-9H2,1-4H3/t12-,15+,25+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide has a molecular weight of 387.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2S,4S)-1,5,5,5-tetrafluoro-2-(2-fluoro-3-methylphenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 86732258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).