[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

C14H20FNO4S — CID 128977219

IUPAC[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C14H20FNO4S/c1-9-4-10(2)14(13(5-9)20-3)21(18,19)16-7-11(15)6-12(16)8-17/h4-5,11-12,17H,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyHLEWOQBEJVZTQR-RYUDHWBXSA-N
MW317.38 g/mol
LogP1.41
Rot. Bonds4

About [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977219) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID128977219
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C14H20FNO4S/c1-9-4-10(2)14(13(5-9)20-3)21(18,19)16-7-11(15)6-12(16)8-17/h4-5,11-12,17H,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyHLEWOQBEJVZTQR-RYUDHWBXSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-4-fluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 59401656
[4,4-Difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 68722527
2-Methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 142809266
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 107483523
4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methoxybenzonitrile
CID 128977164
[(2S,4S)-4-fluoro-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977180
[(2S,4S)-4-fluoro-1-[(3-methoxyphenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
CID 128977197
[(2S,4S)-4-fluoro-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977252
[(2S,4S)-4-fluoro-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977269
[(2S,4S)-4-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977281
[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977290
rac-(3R,4R)-4-fluoro-1-[(5-methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidin-3-ol
CID 131911418

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 128977219) is [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is HLEWOQBEJVZTQR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-9-4-10(2)14(13(5-9)20-3)21(18,19)16-7-11(15)6-12(16)8-17/h4-5,11-12,17H,6-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 317.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2-methoxy-4,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).