2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide

C23H22Cl2N2O6S — CID 58941363

IUPAC2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C23H22Cl2N2O6S/c1-32-15-8-10-21(20(12-15)33-2)34(30,31)27(13-22(26)28)19-9-7-14(24)11-17(19)23(29)16-5-3-4-6-18(16)25/h3-12,23,29H,13H2,1-2H3,(H2,26,28)
InChIKeySWUZRNRDIYDYNW-UHFFFAOYSA-N
MW525.41 g/mol
LogP3.77
Rot. Bonds9

About 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide

2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide (PubChem CID 58941363) has the molecular formula C23H22Cl2N2O6S and a molecular weight of 525.41 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
PubChem CID58941363
Molecular FormulaC23H22Cl2N2O6S
Molecular Weight525.41 g/mol
Exact Mass524.06
IUPAC Name2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C23H22Cl2N2O6S/c1-32-15-8-10-21(20(12-15)33-2)34(30,31)27(13-22(26)28)19-9-7-14(24)11-17(19)23(29)16-5-3-4-6-18(16)25/h3-12,23,29H,13H2,1-2H3,(H2,26,28)
InChIKeySWUZRNRDIYDYNW-UHFFFAOYSA-N
XLogP3.77
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 58941265
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
ethyl 4-[4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-[(3-ethyl-2-methoxyphenyl)-hydroxymethyl]anilino]-4-oxobut-2-enoate
CID 76603571
2-[4-chloro-2-[(2,3-difluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]-N-ethylacetamide
CID 58941417
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide
CID 58941467
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The IUPAC name of 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide (CID 58941363) is 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The canonical SMILES for 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2Cl)c(OC)c1.
What is the InChIKey of 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The InChIKey is SWUZRNRDIYDYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O6S/c1-32-15-8-10-21(20(12-15)33-2)34(30,31)27(13-22(26)28)19-9-7-14(24)11-17(19)23(29)16-5-3-4-6-18(16)25/h3-12,23,29H,13H2,1-2H3,(H2,26,28).
What are the key properties of 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide?
2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide has a molecular weight of 525.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 58941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).