N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide

C15H15NO3S — CID 138981279

IUPACN-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1-c1ccccc1C=O
InChIInChI=1S/C15H15NO3S/c1-20(18,19)16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-17/h2-9,11,16H,10H2,1H3
InChIKeyNVVRLICHQFIJPK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.22
Rot. Bonds5

About N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide

N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide (PubChem CID 138981279) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide
PubChem CID138981279
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1-c1ccccc1C=O
InChIInChI=1S/C15H15NO3S/c1-20(18,19)16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-17/h2-9,11,16H,10H2,1H3
InChIKeyNVVRLICHQFIJPK-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide (CID 138981279) is N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccccc1-c1ccccc1C=O.
What is the InChIKey of N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide?
The InChIKey is NVVRLICHQFIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-20(18,19)16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-17/h2-9,11,16H,10H2,1H3.
What are the key properties of N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide?
N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-formylphenyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 138981279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).