1-(benzenesulfonyl)-3-ethenylpyrrole

C12H11NO2S — CID 10263397

IUPAC1-(benzenesulfonyl)-3-ethenylpyrrole
SMILESC=Cc1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2S/c1-2-11-8-9-13(10-11)16(14,15)12-6-4-3-5-7-12/h2-10H,1H2
InChIKeyQCBCDDIFUUFJCA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.37
Rot. Bonds3

About 1-(benzenesulfonyl)-3-ethenylpyrrole

1-(benzenesulfonyl)-3-ethenylpyrrole (PubChem CID 10263397) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-ethenylpyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-ethenylpyrrole
PubChem CID10263397
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-(benzenesulfonyl)-3-ethenylpyrrole
SMILESC=Cc1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2S/c1-2-11-8-9-13(10-11)16(14,15)12-6-4-3-5-7-12/h2-10H,1H2
InChIKeyQCBCDDIFUUFJCA-UHFFFAOYSA-N
XLogP2.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-ethenylpyrrole?
The IUPAC name of 1-(benzenesulfonyl)-3-ethenylpyrrole (CID 10263397) is 1-(benzenesulfonyl)-3-ethenylpyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-ethenylpyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-3-ethenylpyrrole is C=Cc1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-ethenylpyrrole?
The InChIKey is QCBCDDIFUUFJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-11-8-9-13(10-11)16(14,15)12-6-4-3-5-7-12/h2-10H,1H2.
What are the key properties of 1-(benzenesulfonyl)-3-ethenylpyrrole?
1-(benzenesulfonyl)-3-ethenylpyrrole has a molecular weight of 233.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-ethenylpyrrole is sourced from PubChem (CID 10263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).