1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

C11H13NO2S — CID 11138747

IUPAC1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2CC=CC2)cc1
InChIInChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
InChIKeyUNYMIBRUQCUASP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.56
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 11138747) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID11138747
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2CC=CC2)cc1
InChIInChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
InChIKeyUNYMIBRUQCUASP-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (CID 11138747) is 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is Cc1ccc(S(=O)(=O)N2CC=CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is UNYMIBRUQCUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 223.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 11138747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).