1-(4-methoxyphenyl)sulfonylpyrrole

C11H11NO3S — CID 831626

IUPAC1-(4-methoxyphenyl)sulfonylpyrrole
SMILESCOc1ccc(S(=O)(=O)n2cccc2)cc1
InChIInChI=1S/C11H11NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKeyPTOXNAYXGVJKDN-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonylpyrrole

1-(4-methoxyphenyl)sulfonylpyrrole (PubChem CID 831626) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpyrrole
PubChem CID831626
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1-(4-methoxyphenyl)sulfonylpyrrole
SMILESCOc1ccc(S(=O)(=O)n2cccc2)cc1
InChIInChI=1S/C11H11NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKeyPTOXNAYXGVJKDN-UHFFFAOYSA-N
XLogP1.73
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrole (CID 831626) is 1-(4-methoxyphenyl)sulfonylpyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpyrrole is COc1ccc(S(=O)(=O)n2cccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpyrrole?
The InChIKey is PTOXNAYXGVJKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h2-9H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonylpyrrole?
1-(4-methoxyphenyl)sulfonylpyrrole has a molecular weight of 237.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpyrrole is sourced from PubChem (CID 831626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).