2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide

C22H19Cl3N2O3S — CID 4523459

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c23-17-11-9-16(10-12-17)13-14-26-21(28)15-27(20-8-4-7-19(24)22(20)25)31(29,30)18-5-2-1-3-6-18/h1-12H,13-15H2,(H,26,28)
InChIKeyDVZAODCAERAPIT-UHFFFAOYSA-N
MW497.83 g/mol
LogP5.20
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 4523459) has the molecular formula C22H19Cl3N2O3S and a molecular weight of 497.83 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID4523459
Molecular FormulaC22H19Cl3N2O3S
Molecular Weight497.83 g/mol
Exact Mass496.02
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c23-17-11-9-16(10-12-17)13-14-26-21(28)15-27(20-8-4-7-19(24)22(20)25)31(29,30)18-5-2-1-3-6-18/h1-12H,13-15H2,(H,26,28)
InChIKeyDVZAODCAERAPIT-UHFFFAOYSA-N
XLogP5.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.83
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]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)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 43882139
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30210281
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51343696
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5226601
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30209855
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 4523459) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is DVZAODCAERAPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3S/c23-17-11-9-16(10-12-17)13-14-26-21(28)15-27(20-8-4-7-19(24)22(20)25)31(29,30)18-5-2-1-3-6-18/h1-12H,13-15H2,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 497.83 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 4523459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).