1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol

C16H18FNO4S — CID 128963851

IUPAC1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CC(O)CC2c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H18FNO4S/c1-10-7-16(11(2)22-10)23(20,21)18-9-14(19)8-15(18)12-3-5-13(17)6-4-12/h3-7,14-15,19H,8-9H2,1-2H3
InChIKeyDRESCQGCRMLAHT-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.53
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol

1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 128963851) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID128963851
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CC(O)CC2c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H18FNO4S/c1-10-7-16(11(2)22-10)23(20,21)18-9-14(19)8-15(18)12-3-5-13(17)6-4-12/h3-7,14-15,19H,8-9H2,1-2H3
InChIKeyDRESCQGCRMLAHT-UHFFFAOYSA-N
XLogP2.53
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100662331
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 129350720
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 129447230
5-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 129350401
(3R,5S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129349132
2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722086
(3S,5S)-5-(3,4-difluorophenyl)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-ol
CID 100696306
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol
CID 168788077
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100671425

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol (CID 128963851) is 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol is Cc1cc(S(=O)(=O)N2CC(O)CC2c2ccc(F)cc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is DRESCQGCRMLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-10-7-16(11(2)22-10)23(20,21)18-9-14(19)8-15(18)12-3-5-13(17)6-4-12/h3-7,14-15,19H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 339.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 128963851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).