2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

C21H23N3O2S — CID 102189250

IUPAC2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-16-12-17(2)21(18(3)13-16)27(25,26)24(14-19-8-4-6-10-22-19)15-20-9-5-7-11-23-20/h4-13H,14-15H2,1-3H3
InChIKeyHJGIFIIWCIXHNT-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.79
Rot. Bonds6

About 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 102189250) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID102189250
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-16-12-17(2)21(18(3)13-16)27(25,26)24(14-19-8-4-6-10-22-19)15-20-9-5-7-11-23-20/h4-13H,14-15H2,1-3H3
InChIKeyHJGIFIIWCIXHNT-UHFFFAOYSA-N
XLogP3.79
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
3-[(2,6-dimethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 166266155
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 21373434
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
N-ethyl-2,3,5,6-tetramethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23905703
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 136572017
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110005953
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (CID 102189250) is 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HJGIFIIWCIXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-16-12-17(2)21(18(3)13-16)27(25,26)24(14-19-8-4-6-10-22-19)15-20-9-5-7-11-23-20/h4-13H,14-15H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102189250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).