(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine

C19H22FNO5S — CID 99823476

IUPAC(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine
SMILESO=S(=O)(c1ccc(OC2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C19H22FNO5S/c20-16-13-15(5-6-18(16)26-14-7-11-24-12-8-14)27(22,23)21-9-1-3-17(21)19-4-2-10-25-19/h2,4-6,10,13-14,17H,1,3,7-9,11-12H2/t17-/m1/s1
InChIKeyKDLCPGLXIOKHOK-QGZVFWFLSA-N
MW395.45 g/mol
LogP3.50
Rot. Bonds5

About (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine

(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine (PubChem CID 99823476) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine
PubChem CID99823476
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine
SMILESO=S(=O)(c1ccc(OC2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C19H22FNO5S/c20-16-13-15(5-6-18(16)26-14-7-11-24-12-8-14)27(22,23)21-9-1-3-17(21)19-4-2-10-25-19/h2,4-6,10,13-14,17H,1,3,7-9,11-12H2/t17-/m1/s1
InChIKeyKDLCPGLXIOKHOK-QGZVFWFLSA-N
XLogP3.50
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831
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CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
2,3-difluoro-5-[2-(furan-2-yl)azepan-1-yl]sulfonylbenzoic acid
CID 167896052
(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
CID 100850865
6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 20895736
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine?
The IUPAC name of (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine (CID 99823476) is (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine.
What is the SMILES notation for (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine?
The canonical SMILES for (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine is O=S(=O)(c1ccc(OC2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine?
The InChIKey is KDLCPGLXIOKHOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FNO5S/c20-16-13-15(5-6-18(16)26-14-7-11-24-12-8-14)27(22,23)21-9-1-3-17(21)19-4-2-10-25-19/h2,4-6,10,13-14,17H,1,3,7-9,11-12H2/t17-/m1/s1.
What are the key properties of (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine?
(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine has a molecular weight of 395.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine is sourced from PubChem (CID 99823476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).