N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide

C21H21NO2S — CID 126386470

IUPACN-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO2S/c1-17-13-18(2)15-20(14-17)22(16-19-9-5-3-6-10-19)25(23,24)21-11-7-4-8-12-21/h3-15H,16H2,1-2H3
InChIKeyONTZEPHCLVBZCX-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.70
Rot. Bonds5

About N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide

N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 126386470) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID126386470
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO2S/c1-17-13-18(2)15-20(14-17)22(16-19-9-5-3-6-10-19)25(23,24)21-11-7-4-8-12-21/h3-15H,16H2,1-2H3
InChIKeyONTZEPHCLVBZCX-UHFFFAOYSA-N
XLogP4.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide 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-[(3-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3887779
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 43909813
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-benzyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
CID 23206306
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132632611
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 126386470) is N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is ONTZEPHCLVBZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-17-13-18(2)15-20(14-17)22(16-19-9-5-3-6-10-19)25(23,24)21-11-7-4-8-12-21/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide?
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 126386470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).