2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide

C26H29N3O3S — CID 155964407

IUPAC2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCN(C)c4ccccc43)ccc2C)c(C)c1
InChIInChI=1S/C26H29N3O3S/c1-17-14-19(3)25(20(4)15-17)33(31,32)27-22-16-21(11-10-18(22)2)26(30)29-13-12-28(5)23-8-6-7-9-24(23)29/h6-11,14-16,27H,12-13H2,1-5H3
InChIKeyFTKHZOUHMHJOSE-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.82
Rot. Bonds4

About 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 155964407) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID155964407
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCN(C)c4ccccc43)ccc2C)c(C)c1
InChIInChI=1S/C26H29N3O3S/c1-17-14-19(3)25(20(4)15-17)33(31,32)27-22-16-21(11-10-18(22)2)26(30)29-13-12-28(5)23-8-6-7-9-24(23)29/h6-11,14-16,27H,12-13H2,1-5H3
InChIKeyFTKHZOUHMHJOSE-UHFFFAOYSA-N
XLogP4.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.82
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-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide (CID 155964407) is 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCN(C)c4ccccc43)ccc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FTKHZOUHMHJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-17-14-19(3)25(20(4)15-17)33(31,32)27-22-16-21(11-10-18(22)2)26(30)29-13-12-28(5)23-8-6-7-9-24(23)29/h6-11,14-16,27H,12-13H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 463.60 g/mol, XLogP of 4.82, 4 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-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 155964407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).