2-(benzenesulfonyl)thiophene-3-carbaldehyde

C11H8O3S2 — CID 13413612

IUPAC2-(benzenesulfonyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H8O3S2/c12-8-9-6-7-15-11(9)16(13,14)10-4-2-1-3-5-10/h1-8H
InChIKeyXDQBMSQIDZWDOY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.39
Rot. Bonds3

About 2-(benzenesulfonyl)thiophene-3-carbaldehyde

2-(benzenesulfonyl)thiophene-3-carbaldehyde (PubChem CID 13413612) has the molecular formula C11H8O3S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(benzenesulfonyl)thiophene-3-carbaldehyde
PubChem CID13413612
Molecular FormulaC11H8O3S2
Molecular Weight252.32 g/mol
Exact Mass251.99
IUPAC Name2-(benzenesulfonyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H8O3S2/c12-8-9-6-7-15-11(9)16(13,14)10-4-2-1-3-5-10/h1-8H
InChIKeyXDQBMSQIDZWDOY-UHFFFAOYSA-N
XLogP2.39
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(benzenesulfonyl)thiophene-3-carbaldehyde (CID 13413612) is 2-(benzenesulfonyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(benzenesulfonyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(benzenesulfonyl)thiophene-3-carbaldehyde is O=Cc1ccsc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)thiophene-3-carbaldehyde?
The InChIKey is XDQBMSQIDZWDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S2/c12-8-9-6-7-15-11(9)16(13,14)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-(benzenesulfonyl)thiophene-3-carbaldehyde?
2-(benzenesulfonyl)thiophene-3-carbaldehyde has a molecular weight of 252.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 13413612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).