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

C23H22Cl2N2O6S — CID 58941363

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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