ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate

C22H18Cl2F2N2O6S2 — CID 58734245

About ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate

ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate (PubChem CID 58734245) has the molecular formula C22H18Cl2F2N2O6S2 and a molecular weight of 579.43 g/mol. Its IUPAC name is ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
• PubChem CID: 58734245
• Molecular Formula: C22H18Cl2F2N2O6S2
• Molecular Weight: 579.43 g/mol
• Exact Mass: 578.00
• IUPAC Name: ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
• SMILES: CCOC(=O)CS(=O)(=O)Nc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1
• InChI: InChI=1S/C22H18Cl2F2N2O6S2/c1-2-34-21(29)12-35(30,31)28-20-10-16(18(24)11-27-20)22(17-9-14(25)5-8-19(17)26)36(32,33)15-6-3-13(23)4-7-15/h3-11,22H,2,12H2,1H3,(H,27,28)
• InChIKey: YSDYXSLSJCLYLY-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 119.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.43
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate?

The IUPAC name of ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate (CID 58734245) is ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate.

What is the SMILES notation for ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate?

The canonical SMILES for ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1.

What is the InChIKey of ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate?

The InChIKey is YSDYXSLSJCLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N2O6S2/c1-2-34-21(29)12-35(30,31)28-20-10-16(18(24)11-27-20)22(17-9-14(25)5-8-19(17)26)36(32,33)15-6-3-13(23)4-7-15/h3-11,22H,2,12H2,1H3,(H,27,28).

What are the key properties of ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate?

ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate has a molecular weight of 579.43 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate is sourced from PubChem (CID 58734245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).