N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide

C23H25NO2S — CID 22202594

IUPACN-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H25NO2S/c1-17-15-18(2)20(4)23(19(17)3)27(25,26)24(22-13-9-6-10-14-22)16-21-11-7-5-8-12-21/h5-15H,16H2,1-4H3
InChIKeyFDOJMUGKRWVLFH-UHFFFAOYSA-N
MW379.52 g/mol
LogP5.32
Rot. Bonds5

About N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide

N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide (PubChem CID 22202594) has the molecular formula C23H25NO2S and a molecular weight of 379.52 g/mol. Its IUPAC name is N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
PubChem CID22202594
Molecular FormulaC23H25NO2S
Molecular Weight379.52 g/mol
Exact Mass379.16
IUPAC NameN-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H25NO2S/c1-17-15-18(2)20(4)23(19(17)3)27(25,26)24(22-13-9-6-10-14-22)16-21-11-7-5-8-12-21/h5-15H,16H2,1-4H3
InChIKeyFDOJMUGKRWVLFH-UHFFFAOYSA-N
XLogP5.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 75366177
N-benzyl-N-(2-cyanoethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23853525
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide
CID 3125889
N-benzyl-3,5-dinitro-N-phenylbenzenesulfonamide
CID 23206295
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide (CID 22202594) is N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide?
The InChIKey is FDOJMUGKRWVLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-17-15-18(2)20(4)23(19(17)3)27(25,26)24(22-13-9-6-10-14-22)16-21-11-7-5-8-12-21/h5-15H,16H2,1-4H3.
What are the key properties of N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide?
N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide has a molecular weight of 379.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 22202594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).