(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol

C17H18FNO3S — CID 97470103

IUPAC(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-14-7-4-8-15(12-14)23(21,22)19-10-9-17(20)16(19)11-13-5-2-1-3-6-13/h1-8,12,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyVBNCNDRWMUADRD-DLBZAZTESA-N
MW335.40 g/mol
LogP2.19
Rot. Bonds4

About (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol

(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 97470103) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID97470103
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-14-7-4-8-15(12-14)23(21,22)19-10-9-17(20)16(19)11-13-5-2-1-3-6-13/h1-8,12,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyVBNCNDRWMUADRD-DLBZAZTESA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470421
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 97470103) is (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VBNCNDRWMUADRD-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-14-7-4-8-15(12-14)23(21,22)19-10-9-17(20)16(19)11-13-5-2-1-3-6-13/h1-8,12,16-17,20H,9-11H2/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 335.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 97470103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).