(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate

C10H8FNO5S — CID 54316839

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate
SMILESO=S(=O)(On1c(O)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C10H8FNO5S/c11-7-1-3-8(4-2-7)18(15,16)17-12-9(13)5-6-10(12)14/h1-6,13-14H
InChIKeySOUUTVATKNBCGC-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.86
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate

(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate (PubChem CID 54316839) has the molecular formula C10H8FNO5S and a molecular weight of 273.24 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate
PubChem CID54316839
Molecular FormulaC10H8FNO5S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate
SMILESO=S(=O)(On1c(O)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C10H8FNO5S/c11-7-1-3-8(4-2-7)18(15,16)17-12-9(13)5-6-10(12)14/h1-6,13-14H
InChIKeySOUUTVATKNBCGC-UHFFFAOYSA-N
XLogP0.86
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[9-(4-fluorophenyl)sulfonyloxy-3,5,8,10-tetrahydroxy-4,9-diazatricyclo[5.3.0.02,6]deca-1(10),2,5,7-tetraen-4-yl] 4-fluorobenzenesulfonate
CID 90892534
[9-(4-chlorophenyl)sulfonyloxy-3,5,8,10-tetrahydroxy-4,9-diazatricyclo[5.3.0.02,6]deca-1(10),2,5,7-tetraen-4-yl] 4-chlorobenzenesulfonate
CID 91046608
(3,4-dimethyl-2,5-dioxopyrrol-1-yl) 4-fluorobenzenesulfonate
CID 20671175
3-(4-fluorophenyl)sulfonyloxybutan-2-yl 4-fluorobenzenesulfonate
CID 89440333
2-hydroxyethyl 4-fluorobenzenesulfonate
CID 87089418
ethyl 4-fluorobenzenesulfonate
CID 15066302
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
4-fluorobenzenesulfonic acid;hydrochloride
CID 87503782
(4-fluorophenyl)sulfonylmethyl 4-fluorobenzenesulfonate
CID 59087607
(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
CID 91455649
gallium tris(4-fluorobenzenesulfonate)
CID 22604842
(4-fluorophenyl)sulfonyl-methylidyneazanium
CID 170037149

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate (CID 54316839) is (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate is O=S(=O)(On1c(O)ccc1O)c1ccc(F)cc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate?
The InChIKey is SOUUTVATKNBCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5S/c11-7-1-3-8(4-2-7)18(15,16)17-12-9(13)5-6-10(12)14/h1-6,13-14H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate?
(2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate has a molecular weight of 273.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-fluorobenzenesulfonate is sourced from PubChem (CID 54316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).