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

C14H14FNO4S — CID 100722173

IUPAC(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccco1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H14FNO4S/c15-11-4-1-3-10(7-11)13-8-12(17)9-16(13)21(18,19)14-5-2-6-20-14/h1-7,12-13,17H,8-9H2/t12-,13+/m0/s1
InChIKeyLGPXYJBGAFDTOP-QWHCGFSZSA-N
MW311.33 g/mol
LogP1.92
Rot. Bonds3

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

(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 100722173) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
PubChem CID100722173
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccco1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H14FNO4S/c15-11-4-1-3-10(7-11)13-8-12(17)9-16(13)21(18,19)14-5-2-6-20-14/h1-7,12-13,17H,8-9H2/t12-,13+/m0/s1
InChIKeyLGPXYJBGAFDTOP-QWHCGFSZSA-N
XLogP1.92
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(2,5-difluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 129429883
2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722086
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722421
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
CID 128964231
2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 100711428
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129448982
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 129447230
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128963851
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 100652978
5-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 128964172

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol (CID 100722173) is (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol is O=S(=O)(c1ccco1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is LGPXYJBGAFDTOP-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H14FNO4S/c15-11-4-1-3-10(7-11)13-8-12(17)9-16(13)21(18,19)14-5-2-6-20-14/h1-7,12-13,17H,8-9H2/t12-,13+/m0/s1.
What are the key properties of (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol?
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 311.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 100722173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).