[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol

C16H18FNO4S — CID 139001899

IUPAC[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccoc1)N1CCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNO4S/c17-14-3-1-13(2-4-14)9-16(12-19)6-7-18(11-16)23(20,21)15-5-8-22-10-15/h1-5,8,10,19H,6-7,9,11-12H2
InChIKeyQAFVFFVUYTWUCL-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.03
Rot. Bonds5

About [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 139001899) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID139001899
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccoc1)N1CCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNO4S/c17-14-3-1-13(2-4-14)9-16(12-19)6-7-18(11-16)23(20,21)15-5-8-22-10-15/h1-5,8,10,19H,6-7,9,11-12H2
InChIKeyQAFVFFVUYTWUCL-UHFFFAOYSA-N
XLogP2.03
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol (CID 139001899) is [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(c1ccoc1)N1CCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is QAFVFFVUYTWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c17-14-3-1-13(2-4-14)9-16(12-19)6-7-18(11-16)23(20,21)15-5-8-22-10-15/h1-5,8,10,19H,6-7,9,11-12H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 339.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-(furan-3-ylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 139001899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).