5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde

C13H11ClO3S — CID 103291215

IUPAC5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClO3S/c14-13-4-2-1-3-10(13)8-18(16)9-12-6-5-11(7-15)17-12/h1-7H,8-9H2
InChIKeyOUOMQFBQZGVTLV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.19
Rot. Bonds5

About 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde

5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde (PubChem CID 103291215) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde
PubChem CID103291215
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClO3S/c14-13-4-2-1-3-10(13)8-18(16)9-12-6-5-11(7-15)17-12/h1-7H,8-9H2
InChIKeyOUOMQFBQZGVTLV-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]methyl]propan-1-amine
CID 103290400
[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 20899400
5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 20899418
5-(2-methylbutylsulfinylmethyl)furan-2-carbaldehyde
CID 107767810
3-[(2-chlorophenyl)methylsulfinylmethyl]-2-fluoroaniline
CID 107350497
2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 103290288
5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde
CID 106497234
1-[[(R)-(2-chlorophenyl)methylsulfinyl]methyl]-3,5-dimethylbenzene
CID 95329943
3-bromo-2-[(2-chlorophenyl)methylsulfinylmethyl]aniline
CID 103289260
3-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593609
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
methyl 2-[(2-chlorophenyl)methylsulfinylmethyl]benzoate
CID 103289225

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde (CID 103291215) is 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde is O=Cc1ccc(CS(=O)Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde?
The InChIKey is OUOMQFBQZGVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c14-13-4-2-1-3-10(13)8-18(16)9-12-6-5-11(7-15)17-12/h1-7H,8-9H2.
What are the key properties of 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde?
5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde has a molecular weight of 282.75 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde is sourced from PubChem (CID 103291215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).