N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

C22H21Cl2NO2S — CID 3452430

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H21Cl2NO2S/c1-15-5-9-19(10-6-15)28(26,27)25(22-12-16(2)4-7-17(22)3)14-18-8-11-20(23)21(24)13-18/h4-13H,14H2,1-3H3
InChIKeyNOPUUCMVWCPFFK-UHFFFAOYSA-N
MW434.39 g/mol
LogP6.31
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 3452430) has the molecular formula C22H21Cl2NO2S and a molecular weight of 434.39 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID3452430
Molecular FormulaC22H21Cl2NO2S
Molecular Weight434.39 g/mol
Exact Mass433.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H21Cl2NO2S/c1-15-5-9-19(10-6-15)28(26,27)25(22-12-16(2)4-7-17(22)3)14-18-8-11-20(23)21(24)13-18/h4-13H,14H2,1-3H3
InChIKeyNOPUUCMVWCPFFK-UHFFFAOYSA-N
XLogP6.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide 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-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3636771
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132692459
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 132695749
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide
CID 125091634
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide
CID 132642765
(2R)-N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 100690748
2-[(3,4-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132695746
2-[(3,4-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132755555
4-(N-(3,4-dichlorophenyl)sulfonyl-2,5-dimethylanilino)butanoic acid
CID 50891674
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
(2R)-N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 125056934
(2R)-2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100576548

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (CID 3452430) is N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is NOPUUCMVWCPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO2S/c1-15-5-9-19(10-6-15)28(26,27)25(22-12-16(2)4-7-17(22)3)14-18-8-11-20(23)21(24)13-18/h4-13H,14H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 434.39 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).