N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

C22H23NO2S — CID 126385130

IUPACN-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23NO2S/c1-17-11-9-15-22(19(17)3)23(16-20-12-8-7-10-18(20)2)26(24,25)21-13-5-4-6-14-21/h4-15H,16H2,1-3H3
InChIKeyGTZLMPNKLMAUPU-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.01
Rot. Bonds5

About N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 126385130) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID126385130
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23NO2S/c1-17-11-9-15-22(19(17)3)23(16-20-12-8-7-10-18(20)2)26(24,25)21-13-5-4-6-14-21/h4-15H,16H2,1-3H3
InChIKeyGTZLMPNKLMAUPU-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]benzenesulfonamide
CID 126385344
3-[N-(benzenesulfonyl)-2,3-dimethylanilino]propanoic acid
CID 50891386
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
N-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126386482
(2R)-2-[[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 125101377
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
CID 2271697
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132683060
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133232675

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 126385130) is N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is GTZLMPNKLMAUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-17-11-9-15-22(19(17)3)23(16-20-12-8-7-10-18(20)2)26(24,25)21-13-5-4-6-14-21/h4-15H,16H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-(2,3-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-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 126385130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).