4-iodo-2-methylsulfonyl-1H-pyrrole

C5H6INO2S — CID 59772695

IUPAC4-iodo-2-methylsulfonyl-1H-pyrrole
SMILESCS(=O)(=O)c1cc(I)c[nH]1
InChIInChI=1S/C5H6INO2S/c1-10(8,9)5-2-4(6)3-7-5/h2-3,7H,1H3
InChIKeyRWLIUBXWGLSMFD-UHFFFAOYSA-N
MW271.08 g/mol
LogP1.02
Rot. Bonds1

About 4-iodo-2-methylsulfonyl-1H-pyrrole

4-iodo-2-methylsulfonyl-1H-pyrrole (PubChem CID 59772695) has the molecular formula C5H6INO2S and a molecular weight of 271.08 g/mol. Its IUPAC name is 4-iodo-2-methylsulfonyl-1H-pyrrole.

Molecular Properties

Compound Name4-iodo-2-methylsulfonyl-1H-pyrrole
PubChem CID59772695
Molecular FormulaC5H6INO2S
Molecular Weight271.08 g/mol
Exact Mass270.92
IUPAC Name4-iodo-2-methylsulfonyl-1H-pyrrole
SMILESCS(=O)(=O)c1cc(I)c[nH]1
InChIInChI=1S/C5H6INO2S/c1-10(8,9)5-2-4(6)3-7-5/h2-3,7H,1H3
InChIKeyRWLIUBXWGLSMFD-UHFFFAOYSA-N
XLogP1.02
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methylsulfonyl-1H-pyrrole?
The IUPAC name of 4-iodo-2-methylsulfonyl-1H-pyrrole (CID 59772695) is 4-iodo-2-methylsulfonyl-1H-pyrrole.
What is the SMILES notation for 4-iodo-2-methylsulfonyl-1H-pyrrole?
The canonical SMILES for 4-iodo-2-methylsulfonyl-1H-pyrrole is CS(=O)(=O)c1cc(I)c[nH]1.
What is the InChIKey of 4-iodo-2-methylsulfonyl-1H-pyrrole?
The InChIKey is RWLIUBXWGLSMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO2S/c1-10(8,9)5-2-4(6)3-7-5/h2-3,7H,1H3.
What are the key properties of 4-iodo-2-methylsulfonyl-1H-pyrrole?
4-iodo-2-methylsulfonyl-1H-pyrrole has a molecular weight of 271.08 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methylsulfonyl-1H-pyrrole is sourced from PubChem (CID 59772695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).