[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol

C14H20FNO4S — CID 128977236

IUPAC[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCOCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1
InChIInChI=1S/C14H20FNO4S/c1-20-7-6-11-2-4-14(5-3-11)21(18,19)16-9-12(15)8-13(16)10-17/h2-5,12-13,17H,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyULYNXGUDOKXSIX-STQMWFEESA-N
MW317.38 g/mol
LogP0.97
Rot. Bonds6

About [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977236) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID128977236
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCOCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1
InChIInChI=1S/C14H20FNO4S/c1-20-7-6-11-2-4-14(5-3-11)21(18,19)16-9-12(15)8-13(16)10-17/h2-5,12-13,17H,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyULYNXGUDOKXSIX-STQMWFEESA-N
XLogP0.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol 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-[4-(2-methoxyethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105655
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 128977330
3-amino-N-[[1-[4-(2-methoxyethyl)phenyl]sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584602
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
1-[4-(2-methoxyethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894479
[(2S,4S)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-2-yl]methanol
CID 128977215
[4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8867436
methyl 1-(4-dodecylphenyl)sulfonylaziridine-2-carboxylate
CID 167345324
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 130647418
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 128977236) is [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol is COCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ULYNXGUDOKXSIX-STQMWFEESA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-20-7-6-11-2-4-14(5-3-11)21(18,19)16-9-12(15)8-13(16)10-17/h2-5,12-13,17H,6-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 317.38 g/mol, XLogP of 0.97, 6 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-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).