2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide

C21H18Cl2N2O3S — CID 2279103

IUPAC2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-15-17(22)11-7-12-19(15)24-21(26)14-25(20-13-6-5-10-18(20)23)29(27,28)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyPNWUXJCECYFQFW-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.14
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 2279103) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID2279103
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-15-17(22)11-7-12-19(15)24-21(26)14-25(20-13-6-5-10-18(20)23)29(27,28)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyPNWUXJCECYFQFW-UHFFFAOYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide 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

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880869
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126119507
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide (CID 2279103) is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is PNWUXJCECYFQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-15-17(22)11-7-12-19(15)24-21(26)14-25(20-13-6-5-10-18(20)23)29(27,28)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 2279103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).