N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide

C15H15NO4S — CID 82096959

IUPACN-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-21(18,19)16-14-9-13(10-17)7-8-15(14)20-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyZOUNIENDUMYSQG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.45
Rot. Bonds6

About N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide

N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 82096959) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
PubChem CID82096959
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-21(18,19)16-14-9-13(10-17)7-8-15(14)20-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyZOUNIENDUMYSQG-UHFFFAOYSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
CID 141223265
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
N-[5-[2-[benzyl-[4-[benzyl-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-2-oxoethyl]amino]butyl]amino]acetyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 21438084
3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
CID 22716790

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide (CID 82096959) is N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is ZOUNIENDUMYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-21(18,19)16-14-9-13(10-17)7-8-15(14)20-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3.
What are the key properties of N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide?
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 82096959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).