3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole

C14H15NO3S — CID 14168434

IUPAC3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
SMILESCO/C=C/c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H15NO3S/c1-12-3-5-14(6-4-12)19(16,17)15-9-7-13(11-15)8-10-18-2/h3-11H,1-2H3/b10-8+
InChIKeyNRIZMCCKIRVSCX-CSKARUKUSA-N
MW277.35 g/mol
LogP2.65
Rot. Bonds4

About 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole

3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 14168434) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID14168434
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
SMILESCO/C=C/c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H15NO3S/c1-12-3-5-14(6-4-12)19(16,17)15-9-7-13(11-15)8-10-18-2/h3-11H,1-2H3/b10-8+
InChIKeyNRIZMCCKIRVSCX-CSKARUKUSA-N
XLogP2.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole (CID 14168434) is 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole is CO/C=C/c1ccn(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is NRIZMCCKIRVSCX-CSKARUKUSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-12-3-5-14(6-4-12)19(16,17)15-9-7-13(11-15)8-10-18-2/h3-11H,1-2H3/b10-8+.
What are the key properties of 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole?
3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 277.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 14168434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).