2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide

C18H23NO2S — CID 19680818

IUPAC2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2ccccc2)c1C
InChIInChI=1S/C18H23NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-16(5)17-9-7-6-8-10-17/h6-11,16,19H,1-5H3
InChIKeyLSTODLBTWLMOJS-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.96
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 19680818) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID19680818
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2ccccc2)c1C
InChIInChI=1S/C18H23NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-16(5)17-9-7-6-8-10-17/h6-11,16,19H,1-5H3
InChIKeyLSTODLBTWLMOJS-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22204794
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide (CID 19680818) is 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(C)c2ccccc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is LSTODLBTWLMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-16(5)17-9-7-6-8-10-17/h6-11,16,19H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 19680818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).