2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde

C15H14O4S — CID 10935159

IUPAC2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O4S/c1-19-14-8-7-12(10-16)13(9-14)11-20(17,18)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyFJKLJUBYTCERSW-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde

2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde (PubChem CID 10935159) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
PubChem CID10935159
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O4S/c1-19-14-8-7-12(10-16)13(9-14)11-20(17,18)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyFJKLJUBYTCERSW-UHFFFAOYSA-N
XLogP2.48
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
2-(benzenesulfonylmethyl)-4-bromobenzaldehyde
CID 132567098
2-(benzenesulfonylmethyl)-4-methoxybenzonitrile
CID 11808311
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
acetic acid;(2-formyl-5-methoxyphenyl)methyl hydrogen sulfate
CID 88528450
2-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
CID 117293526
1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
CID 122679524
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
3-(benzenesulfonylmethyl)-5-methoxyaniline
CID 81155112
1-(2-formyl-4-methoxyphenoxy)propan-2-yl benzenesulfonate
CID 141202863

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde?
The IUPAC name of 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde (CID 10935159) is 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde is COc1ccc(C=O)c(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde?
The InChIKey is FJKLJUBYTCERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-14-8-7-12(10-16)13(9-14)11-20(17,18)15-5-3-2-4-6-15/h2-10H,11H2,1H3.
What are the key properties of 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde?
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde has a molecular weight of 290.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 10935159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).