2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide

C17H21NO2S — CID 3700148

IUPAC2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-15(4)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3
InChIKeyNNZNKMDWSKHSEZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.65
Rot. Bonds4

About 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 3700148) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID3700148
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-15(4)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3
InChIKeyNNZNKMDWSKHSEZ-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177
2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
CID 87669232
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium
CID 87738223
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide (CID 3700148) is 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is NNZNKMDWSKHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-15(4)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide?
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3700148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).