2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde

C11H13ClO4S — CID 60790501

IUPAC2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
SMILESCCS(=O)(=O)CCOc1cccc(Cl)c1C=O
InChIInChI=1S/C11H13ClO4S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5,8H,2,6-7H2,1H3
InChIKeyHQUWIFRNUSBKPZ-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.97
Rot. Bonds6

About 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde

2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde (PubChem CID 60790501) has the molecular formula C11H13ClO4S and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
PubChem CID60790501
Molecular FormulaC11H13ClO4S
Molecular Weight276.74 g/mol
Exact Mass276.02
IUPAC Name2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
SMILESCCS(=O)(=O)CCOc1cccc(Cl)c1C=O
InChIInChI=1S/C11H13ClO4S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5,8H,2,6-7H2,1H3
InChIKeyHQUWIFRNUSBKPZ-UHFFFAOYSA-N
XLogP1.97
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.97
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-chloro-6-heptoxybenzaldehyde
CID 45282902
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-(2-phenoxyethoxy)benzaldehyde
CID 28603977
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-(2-ethylsulfonylethoxy)benzoic acid
CID 113276812
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538
2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
CID 18933661
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde (CID 60790501) is 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde is CCS(=O)(=O)CCOc1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde?
The InChIKey is HQUWIFRNUSBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde?
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde has a molecular weight of 276.74 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde is sourced from PubChem (CID 60790501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).