4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide

C16H17NO4S — CID 10860151

IUPAC4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-9-7-13(8-10-15)12-21-16-6-4-3-5-14(16)11-18/h3-11H,12H2,1-2H3
InChIKeyBTRBNFIIHPXZTG-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.33
Rot. Bonds6

About 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide

4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 10860151) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID10860151
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-9-7-13(8-10-15)12-21-16-6-4-3-5-14(16)11-18/h3-11H,12H2,1-2H3
InChIKeyBTRBNFIIHPXZTG-UHFFFAOYSA-N
XLogP2.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.33
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-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
methyl 4-[[2-[3-[4-(dimethylsulfamoyl)phenyl]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3951980
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
4-[(3-formyl-2-methoxyphenoxy)methyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 58025823
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
CID 110518890
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
CID 175248720
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034

Frequently Asked Questions

What is the IUPAC name of 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide (CID 10860151) is 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(COc2ccccc2C=O)cc1.
What is the InChIKey of 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is BTRBNFIIHPXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-9-7-13(8-10-15)12-21-16-6-4-3-5-14(16)11-18/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 10860151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).