(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol

C17H18FNO3S — CID 97470421

IUPAC(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-14-6-8-15(9-7-14)23(21,22)19-11-10-17(20)16(19)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17-/m0/s1
InChIKeyVQOMBXXCDFBODP-IRXDYDNUSA-N
MW335.40 g/mol
LogP2.19
Rot. Bonds4

About (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol

(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 97470421) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID97470421
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-14-6-8-15(9-7-14)23(21,22)19-11-10-17(20)16(19)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17-/m0/s1
InChIKeyVQOMBXXCDFBODP-IRXDYDNUSA-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,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470103
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
(2R,3R)-1-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 124799679
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
methyl (3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 154409043
(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124783228
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
CID 155269127
benzyl-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]carbamic acid
CID 18767815
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 97470421) is (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VQOMBXXCDFBODP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-14-6-8-15(9-7-14)23(21,22)19-11-10-17(20)16(19)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol?
(2S,3S)-2-benzyl-1-(4-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,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 97470421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).