2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride

C6H8FNO4S — CID 91058313

IUPAC2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1c(O)ccc1O
InChIInChI=1S/C6H8FNO4S/c7-13(11,12)4-3-8-5(9)1-2-6(8)10/h1-2,9-10H,3-4H2
InChIKeyWBZHSMJMLWHIFU-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.20
Rot. Bonds3

About 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride

2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride (PubChem CID 91058313) has the molecular formula C6H8FNO4S and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride
PubChem CID91058313
Molecular FormulaC6H8FNO4S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1c(O)ccc1O
InChIInChI=1S/C6H8FNO4S/c7-13(11,12)4-3-8-5(9)1-2-6(8)10/h1-2,9-10H,3-4H2
InChIKeyWBZHSMJMLWHIFU-UHFFFAOYSA-N
XLogP0.20
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
2-(2,5-Dihydroxypyrrol-1-yl)ethanesulfonic acid
CID 54209766
S-acetyl 2-(2,5-dihydroxypyrrol-1-yl)ethanethioate
CID 54217813
1-Pentylpyrrole-2,5-diol
CID 54382624
3-(2,5-Dihydroxypyrrol-1-yl)-3-sulfopropanoic acid
CID 91329657
1-Propylsulfanylpyrrole-2,5-diol
CID 124033477
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
(2,5-Dihydroxypyrrol-1-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 54159390
1-(2,2,2-Trifluoroethyl)pyrrole-2,5-diol
CID 91241711
1-(2,2-Difluoroethyl)pyrrole-2,5-diol
CID 123363913

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride (CID 91058313) is 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCn1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride?
The InChIKey is WBZHSMJMLWHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO4S/c7-13(11,12)4-3-8-5(9)1-2-6(8)10/h1-2,9-10H,3-4H2.
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride?
2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride has a molecular weight of 209.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 91058313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).