3-(hydroxymethyl)pyrrole-1-sulfonyl iodide

C5H6INO3S — CID 134386912

IUPAC3-(hydroxymethyl)pyrrole-1-sulfonyl iodide
SMILESO=S(=O)(I)n1ccc(CO)c1
InChIInChI=1S/C5H6INO3S/c6-11(9,10)7-2-1-5(3-7)4-8/h1-3,8H,4H2
InChIKeyYLXFMQBOROVWCR-UHFFFAOYSA-N
MW287.08 g/mol
LogP0.51
Rot. Bonds2

About 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide

3-(hydroxymethyl)pyrrole-1-sulfonyl iodide (PubChem CID 134386912) has the molecular formula C5H6INO3S and a molecular weight of 287.08 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrole-1-sulfonyl iodide
PubChem CID134386912
Molecular FormulaC5H6INO3S
Molecular Weight287.08 g/mol
Exact Mass286.91
IUPAC Name3-(hydroxymethyl)pyrrole-1-sulfonyl iodide
SMILESO=S(=O)(I)n1ccc(CO)c1
InChIInChI=1S/C5H6INO3S/c6-11(9,10)7-2-1-5(3-7)4-8/h1-3,8H,4H2
InChIKeyYLXFMQBOROVWCR-UHFFFAOYSA-N
XLogP0.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
(1-(Triisopropylsilyl)-1H-pyrrol-3-yl)methanol
CID 14890920
(1H-Pyrrol-3-yl)methanol
CID 21983502
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
3-(Sulfanyloxymethyl)-1-(trifluoromethyl)pyrrole
CID 174790864
[1-(Trifluoromethyl)pyrrol-3-yl]methyl hydrogen sulfate
CID 174790865
[1-(3-Methoxy-3-methylbutyl)pyrrol-3-yl]methanol
CID 103034927
(4-Methyl-1-prop-2-enylpyrrol-3-yl)methanol
CID 134962578
[1-(Difluoromethyl)pyrrol-3-yl]methanol
CID 66397422
[1-[2-(Trifluoromethoxy)ethyl]pyrrol-3-yl]methanol
CID 66398264
[1-(2,2,2-Trifluoroethyl)pyrrol-3-yl]methanol
CID 66398477
[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrol-3-yl]methanol
CID 66398925

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide?
The IUPAC name of 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide (CID 134386912) is 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide.
What is the SMILES notation for 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide?
The canonical SMILES for 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide is O=S(=O)(I)n1ccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide?
The InChIKey is YLXFMQBOROVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO3S/c6-11(9,10)7-2-1-5(3-7)4-8/h1-3,8H,4H2.
What are the key properties of 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide?
3-(hydroxymethyl)pyrrole-1-sulfonyl iodide has a molecular weight of 287.08 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrole-1-sulfonyl iodide is sourced from PubChem (CID 134386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).