2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide

C23H20ClF3N2O6S — CID 58941463

IUPAC2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2c(F)cc(F)cc2F)cc1OC
InChIInChI=1S/C23H20ClF3N2O6S/c1-34-19-6-4-14(10-20(19)35-2)36(32,33)29(11-21(28)30)18-5-3-12(24)7-15(18)23(31)22-16(26)8-13(25)9-17(22)27/h3-10,23,31H,11H2,1-2H3,(H2,28,30)
InChIKeyYPHUWFJZCSQRLK-UHFFFAOYSA-N
MW544.94 g/mol
LogP3.54
Rot. Bonds9

About 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide

2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide (PubChem CID 58941463) has the molecular formula C23H20ClF3N2O6S and a molecular weight of 544.94 g/mol. Its IUPAC name is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide
PubChem CID58941463
Molecular FormulaC23H20ClF3N2O6S
Molecular Weight544.94 g/mol
Exact Mass544.07
IUPAC Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2c(F)cc(F)cc2F)cc1OC
InChIInChI=1S/C23H20ClF3N2O6S/c1-34-19-6-4-14(10-20(19)35-2)36(32,33)29(11-21(28)30)18-5-3-12(24)7-15(18)23(31)22-16(26)8-13(25)9-17(22)27/h3-10,23,31H,11H2,1-2H3,(H2,28,30)
InChIKeyYPHUWFJZCSQRLK-UHFFFAOYSA-N
XLogP3.54
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.94
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide?
The IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide (CID 58941463) is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide.
What is the SMILES notation for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide?
The canonical SMILES for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2c(F)cc(F)cc2F)cc1OC.
What is the InChIKey of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide?
The InChIKey is YPHUWFJZCSQRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O6S/c1-34-19-6-4-14(10-20(19)35-2)36(32,33)29(11-21(28)30)18-5-3-12(24)7-15(18)23(31)22-16(26)8-13(25)9-17(22)27/h3-10,23,31H,11H2,1-2H3,(H2,28,30).
What are the key properties of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide?
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide has a molecular weight of 544.94 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]anilino]acetamide is sourced from PubChem (CID 58941463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).