2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide

C23H21Cl3N2O3S — CID 58941467

IUPAC2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide
SMILESCc1cc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl
InChIInChI=1S/C23H21Cl3N2O3S/c1-14-10-22(15(2)9-20(14)26)32(30,31)28(13-23(27)29)21-8-7-18(24)12-17(21)11-16-5-3-4-6-19(16)25/h3-10,12H,11,13H2,1-2H3,(H2,27,29)
InChIKeyUDOVBDLOGZFFJS-UHFFFAOYSA-N
MW511.86 g/mol
LogP5.54
Rot. Bonds7

About 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide

2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide (PubChem CID 58941467) has the molecular formula C23H21Cl3N2O3S and a molecular weight of 511.86 g/mol. Its IUPAC name is 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide
PubChem CID58941467
Molecular FormulaC23H21Cl3N2O3S
Molecular Weight511.86 g/mol
Exact Mass510.03
IUPAC Name2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide
SMILESCc1cc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl
InChIInChI=1S/C23H21Cl3N2O3S/c1-14-10-22(15(2)9-20(14)26)32(30,31)28(13-23(27)29)21-8-7-18(24)12-17(21)11-16-5-3-4-6-19(16)25/h3-10,12H,11,13H2,1-2H3,(H2,27,29)
InChIKeyUDOVBDLOGZFFJS-UHFFFAOYSA-N
XLogP5.54
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.86
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]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-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide
CID 58941165
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941363
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
CID 107435779
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide?
The IUPAC name of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide (CID 58941467) is 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide.
What is the SMILES notation for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide?
The canonical SMILES for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide is Cc1cc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl.
What is the InChIKey of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide?
The InChIKey is UDOVBDLOGZFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O3S/c1-14-10-22(15(2)9-20(14)26)32(30,31)28(13-23(27)29)21-8-7-18(24)12-17(21)11-16-5-3-4-6-19(16)25/h3-10,12H,11,13H2,1-2H3,(H2,27,29).
What are the key properties of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide?
2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide has a molecular weight of 511.86 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide is sourced from PubChem (CID 58941467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).