N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide

C21H21NO2S — CID 26528903

IUPACN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C21H21NO2S/c1-16-13-14-19(15-17(16)2)21(18-9-5-3-6-10-18)22-25(23,24)20-11-7-4-8-12-20/h3-15,21-22H,1-2H3/t21-/m0/s1
InChIKeyDSEDWHZKZZDNOM-NRFANRHFSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds5

About N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide

N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 26528903) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID26528903
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C21H21NO2S/c1-16-13-14-19(15-17(16)2)21(18-9-5-3-6-10-18)22-25(23,24)20-11-7-4-8-12-20/h3-15,21-22H,1-2H3/t21-/m0/s1
InChIKeyDSEDWHZKZZDNOM-NRFANRHFSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]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-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 43480214
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
CID 67841348

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide (CID 26528903) is N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide is Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is DSEDWHZKZZDNOM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16-13-14-19(15-17(16)2)21(18-9-5-3-6-10-18)22-25(23,24)20-11-7-4-8-12-20/h3-15,21-22H,1-2H3/t21-/m0/s1.
What are the key properties of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide?
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 26528903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).