N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

C22H23NO2S — CID 126385344

IUPACN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23NO2S/c1-17-13-14-22(19(3)15-17)23(16-20-10-8-7-9-18(20)2)26(24,25)21-11-5-4-6-12-21/h4-15H,16H2,1-3H3
InChIKeyHTCZAPXLLZPBEP-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.01
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 126385344) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID126385344
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23NO2S/c1-17-13-14-22(19(3)15-17)23(16-20-10-8-7-9-18(20)2)26(24,25)21-11-5-4-6-12-21/h4-15H,16H2,1-3H3
InChIKeyHTCZAPXLLZPBEP-UHFFFAOYSA-N
XLogP5.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 967540
N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126385130
N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 3637157
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132683077
(2R)-2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 125093017
(2R)-2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100525103
(2S)-2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100742551
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132637591
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
(2S)-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100743031

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 126385344) is N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is HTCZAPXLLZPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-17-13-14-22(19(3)15-17)23(16-20-10-8-7-9-18(20)2)26(24,25)21-11-5-4-6-12-21/h4-15H,16H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 126385344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).