5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde

C18H14FNO4S — CID 164883807

IUPAC5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-11-13(12-21)10-18(20)14-2-4-15(19)5-3-14/h2-12H,1H3
InChIKeyRYAYLCUCKYBXEL-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.35
Rot. Bonds5

About 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde

5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde (PubChem CID 164883807) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde
PubChem CID164883807
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-11-13(12-21)10-18(20)14-2-4-15(19)5-3-14/h2-12H,1H3
InChIKeyRYAYLCUCKYBXEL-UHFFFAOYSA-N
XLogP3.35
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde (CID 164883807) is 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde is COc1ccc(S(=O)(=O)n2cc(C=O)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde?
The InChIKey is RYAYLCUCKYBXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-11-13(12-21)10-18(20)14-2-4-15(19)5-3-14/h2-12H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde?
5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde has a molecular weight of 359.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 164883807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).