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

C17H21NO2S — CID 3109779

IUPAC2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-13-11-14(2)17(15(3)12-13)21(19,20)18-10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyHITXZBKBQXCNOT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.13
Rot. Bonds5

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

2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3109779) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3109779
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-13-11-14(2)17(15(3)12-13)21(19,20)18-10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyHITXZBKBQXCNOT-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 3109779) is 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is HITXZBKBQXCNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-11-14(2)17(15(3)12-13)21(19,20)18-10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.13, 5 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-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3109779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).