N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide

C17H21NO2S — CID 967540

IUPACN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-13-9-10-17(15(3)11-13)18(21(4,19)20)12-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3
InChIKeyVZEALTBHLUOGMU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.58
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide

N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide (PubChem CID 967540) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
PubChem CID967540
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-13-9-10-17(15(3)11-13)18(21(4,19)20)12-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3
InChIKeyVZEALTBHLUOGMU-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide (CID 967540) is N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide is Cc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The InChIKey is VZEALTBHLUOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-9-10-17(15(3)11-13)18(21(4,19)20)12-16-8-6-5-7-14(16)2/h5-11H,12H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).