[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol

C13H16FNO4S — CID 118008178

IUPAC[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1C(CO)CC2COCC21
InChIInChI=1S/C13H16FNO4S/c14-10-1-3-12(4-2-10)20(17,18)15-11(6-16)5-9-7-19-8-13(9)15/h1-4,9,11,13,16H,5-8H2
InChIKeyADHHJOWXNYATKJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.60
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol

[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol (PubChem CID 118008178) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol
PubChem CID118008178
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1C(CO)CC2COCC21
InChIInChI=1S/C13H16FNO4S/c14-10-1-3-12(4-2-10)20(17,18)15-11(6-16)5-9-7-19-8-13(9)15/h1-4,9,11,13,16H,5-8H2
InChIKeyADHHJOWXNYATKJ-UHFFFAOYSA-N
XLogP0.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol (CID 118008178) is [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol is O=S(=O)(c1ccc(F)cc1)N1C(CO)CC2COCC21.
What is the InChIKey of [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol?
The InChIKey is ADHHJOWXNYATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-10-1-3-12(4-2-10)20(17,18)15-11(6-16)5-9-7-19-8-13(9)15/h1-4,9,11,13,16H,5-8H2.
What are the key properties of [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol?
[1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol has a molecular weight of 301.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol is sourced from PubChem (CID 118008178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).