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

C22H20Cl2N2O5S — CID 22304597

IUPAC2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20Cl2N2O5S/c1-30-18-11-8-14(12-19(18)31-2)26-20(27)13-25-17-10-9-16(23)21(24)22(17)32(28,29)15-6-4-3-5-7-15/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyWOBNCGRAWZVLJQ-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.89
Rot. Bonds8

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

2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 22304597) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID22304597
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC Name2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20Cl2N2O5S/c1-30-18-11-8-14(12-19(18)31-2)26-20(27)13-25-17-10-9-16(23)21(24)22(17)32(28,29)15-6-4-3-5-7-15/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyWOBNCGRAWZVLJQ-UHFFFAOYSA-N
XLogP4.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)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-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099540
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide (CID 22304597) is 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is WOBNCGRAWZVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-30-18-11-8-14(12-19(18)31-2)26-20(27)13-25-17-10-9-16(23)21(24)22(17)32(28,29)15-6-4-3-5-7-15/h3-12,25H,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 495.38 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 22304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).