[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol

C14H15FN2O3S — CID 128977248

IUPAC[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc2ncccc12)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C14H15FN2O3S/c15-10-7-11(9-18)17(8-10)21(19,20)14-5-1-4-13-12(14)3-2-6-16-13/h1-6,10-11,18H,7-9H2/t10-,11-/m0/s1
InChIKeyRBZKGBGBQWVHFN-QWRGUYRKSA-N
MW310.35 g/mol
LogP1.33
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977248) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol
PubChem CID128977248
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc2ncccc12)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C14H15FN2O3S/c15-10-7-11(9-18)17(8-10)21(19,20)14-5-1-4-13-12(14)3-2-6-16-13/h1-6,10-11,18H,7-9H2/t10-,11-/m0/s1
InChIKeyRBZKGBGBQWVHFN-QWRGUYRKSA-N
XLogP1.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-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

Quinoline-5-sulfonamide
CID 21876443
N,N-bis(2-hydroxyethyl)-8-quinolinesulfonamide
CID 975246
N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 5056828
Quinoline-4-sulfonamide
CID 61728044
5-Quinolinesulfonic acid
CID 90048
8-Fluoroquinoline-5-sulfonyl chloride
CID 43423271
8-Fluoro-3-iodo-5-pyrrolidin-1-ylsulfonylquinoline
CID 168286441
Pentyl 8-fluoro-3-iodoquinoline-5-sulfonate
CID 168288453
Ethyl 8-fluoro-3-iodoquinoline-5-sulfonate
CID 168296809
4-(8-Methylquinolin-5-yl)sulfonylmorpholine
CID 21227295
N,N-dimethylquinoline-7-sulfonamide
CID 141029254
8-Fluoroquinoline-5-sulfonyl fluoride
CID 165955342

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol (CID 128977248) is [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc2ncccc12)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is RBZKGBGBQWVHFN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-10-7-11(9-18)17(8-10)21(19,20)14-5-1-4-13-12(14)3-2-6-16-13/h1-6,10-11,18H,7-9H2/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 310.35 g/mol, XLogP of 1.33, 3 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-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).