2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide

C26H31NO4S2 — CID 15423601

IUPAC2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2C)cc1
InChIInChI=1S/C26H31NO4S2/c1-18-10-12-24(13-11-18)32(28,29)17-23(25-9-7-6-8-20(25)3)16-27-33(30,31)26-21(4)14-19(2)15-22(26)5/h6-15,23,27H,16-17H2,1-5H3
InChIKeyIZTMPJYZICFWHJ-UHFFFAOYSA-N
MW485.67 g/mol
LogP4.76
Rot. Bonds8

About 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide (PubChem CID 15423601) has the molecular formula C26H31NO4S2 and a molecular weight of 485.67 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide
PubChem CID15423601
Molecular FormulaC26H31NO4S2
Molecular Weight485.67 g/mol
Exact Mass485.17
IUPAC Name2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2C)cc1
InChIInChI=1S/C26H31NO4S2/c1-18-10-12-24(13-11-18)32(28,29)17-23(25-9-7-6-8-20(25)3)16-27-33(30,31)26-21(4)14-19(2)15-22(26)5/h6-15,23,27H,16-17H2,1-5H3
InChIKeyIZTMPJYZICFWHJ-UHFFFAOYSA-N
XLogP4.76
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide (CID 15423601) is 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)CC(CNS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2C)cc1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide?
The InChIKey is IZTMPJYZICFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4S2/c1-18-10-12-24(13-11-18)32(28,29)17-23(25-9-7-6-8-20(25)3)16-27-33(30,31)26-21(4)14-19(2)15-22(26)5/h6-15,23,27H,16-17H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide has a molecular weight of 485.67 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide is sourced from PubChem (CID 15423601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).