(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol

C14H13F2NO4S — CID 129429883

IUPAC(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccco1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO4S/c15-9-3-4-12(16)11(6-9)13-7-10(18)8-17(13)22(19,20)14-2-1-5-21-14/h1-6,10,13,18H,7-8H2/t10-,13+/m1/s1
InChIKeyGIRCZTNMNARBQC-MFKMUULPSA-N
MW329.32 g/mol
LogP2.05
Rot. Bonds3

About (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol

(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 129429883) has the molecular formula C14H13F2NO4S and a molecular weight of 329.32 g/mol. Its IUPAC name is (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
PubChem CID129429883
Molecular FormulaC14H13F2NO4S
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC Name(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccco1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO4S/c15-9-3-4-12(16)11(6-9)13-7-10(18)8-17(13)22(19,20)14-2-1-5-21-14/h1-6,10,13,18H,7-8H2/t10-,13+/m1/s1
InChIKeyGIRCZTNMNARBQC-MFKMUULPSA-N
XLogP2.05
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 158694292
(3R,5R)-5-(2,5-difluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129397654
4-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 128963862
5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 100670288
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 128975885
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 128990162
2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722086
5-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129398034
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 167918948
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128963851
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol (CID 129429883) is (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol is O=S(=O)(c1ccco1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F.
What is the InChIKey of (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is GIRCZTNMNARBQC-MFKMUULPSA-N. The full InChI is InChI=1S/C14H13F2NO4S/c15-9-3-4-12(16)11(6-9)13-7-10(18)8-17(13)22(19,20)14-2-1-5-21-14/h1-6,10,13,18H,7-8H2/t10-,13+/m1/s1.
What are the key properties of (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 329.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 129429883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).