2-(benzenesulfonylmethyl)benzaldehyde

C14H12O3S — CID 11345986

IUPAC2-(benzenesulfonylmethyl)benzaldehyde
SMILESO=Cc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2
InChIKeyKDTVRUZABJBZKA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.47
Rot. Bonds4

About 2-(benzenesulfonylmethyl)benzaldehyde

2-(benzenesulfonylmethyl)benzaldehyde (PubChem CID 11345986) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)benzaldehyde
PubChem CID11345986
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2-(benzenesulfonylmethyl)benzaldehyde
SMILESO=Cc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2
InChIKeyKDTVRUZABJBZKA-UHFFFAOYSA-N
XLogP2.47
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(benzenesulfonylmethyl)benzaldehyde?
The IUPAC name of 2-(benzenesulfonylmethyl)benzaldehyde (CID 11345986) is 2-(benzenesulfonylmethyl)benzaldehyde.
What is the SMILES notation for 2-(benzenesulfonylmethyl)benzaldehyde?
The canonical SMILES for 2-(benzenesulfonylmethyl)benzaldehyde is O=Cc1ccccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)benzaldehyde?
The InChIKey is KDTVRUZABJBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonylmethyl)benzaldehyde?
2-(benzenesulfonylmethyl)benzaldehyde has a molecular weight of 260.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)benzaldehyde is sourced from PubChem (CID 11345986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).