2,4-dimethyl-N-phenylmethoxybenzenesulfonamide

C15H17NO3S — CID 60681319

IUPAC2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCc2ccccc2)c(C)c1
InChIInChI=1S/C15H17NO3S/c1-12-8-9-15(13(2)10-12)20(17,18)16-19-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyVYOQEBICAKMZEU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.71
Rot. Bonds5

About 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide

2,4-dimethyl-N-phenylmethoxybenzenesulfonamide (PubChem CID 60681319) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
PubChem CID60681319
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCc2ccccc2)c(C)c1
InChIInChI=1S/C15H17NO3S/c1-12-8-9-15(13(2)10-12)20(17,18)16-19-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyVYOQEBICAKMZEU-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
2,5-dimethyl-N-phenylmethoxyaniline
CID 88670805
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
4-methyl-2-(2-phenylmethoxyethyl)benzenesulfonic acid
CID 87200037
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide (CID 60681319) is 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide is Cc1ccc(S(=O)(=O)NOCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide?
The InChIKey is VYOQEBICAKMZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-8-9-15(13(2)10-12)20(17,18)16-19-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide?
2,4-dimethyl-N-phenylmethoxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 60681319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).