5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid

C23H19ClN2O8S2 — CID 57382885

IUPAC5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)cc1C(=O)O
InChIInChI=1S/C23H19ClN2O8S2/c1-2-33-21-10-8-16(13-17(21)23(27)28)35(29,30)25-18-9-7-15(24)12-19(18)26-36(31,32)22-11-14-5-3-4-6-20(14)34-22/h3-13,25-26H,2H2,1H3,(H,27,28)
InChIKeyZCEOISBDNGGFCA-UHFFFAOYSA-N
MW551.00 g/mol
LogP4.78
Rot. Bonds9

About 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid

5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid (PubChem CID 57382885) has the molecular formula C23H19ClN2O8S2 and a molecular weight of 551.00 g/mol. Its IUPAC name is 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid
PubChem CID57382885
Molecular FormulaC23H19ClN2O8S2
Molecular Weight551.00 g/mol
Exact Mass550.03
IUPAC Name5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)cc1C(=O)O
InChIInChI=1S/C23H19ClN2O8S2/c1-2-33-21-10-8-16(13-17(21)23(27)28)35(29,30)25-18-9-7-15(24)12-19(18)26-36(31,32)22-11-14-5-3-4-6-20(14)34-22/h3-13,25-26H,2H2,1H3,(H,27,28)
InChIKeyZCEOISBDNGGFCA-UHFFFAOYSA-N
XLogP4.78
TPSA152.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.00
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid with MolForge

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Related Compounds

N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
N-[5-chloro-2-[(4-phenoxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970160
[5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-chlorophenyl] formate
CID 88544142
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenoxy]methyl]benzoic acid
CID 71726486
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-4-chlorobenzoic acid
CID 67970463
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenoxypyridine-3-sulfonamide
CID 67969992
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188
2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfonylmethyl]benzoic acid
CID 71714818
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 67970093
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid?
The IUPAC name of 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid (CID 57382885) is 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid.
What is the SMILES notation for 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid?
The canonical SMILES for 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid?
The InChIKey is ZCEOISBDNGGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O8S2/c1-2-33-21-10-8-16(13-17(21)23(27)28)35(29,30)25-18-9-7-15(24)12-19(18)26-36(31,32)22-11-14-5-3-4-6-20(14)34-22/h3-13,25-26H,2H2,1H3,(H,27,28).
What are the key properties of 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid?
5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid has a molecular weight of 551.00 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid is sourced from PubChem (CID 57382885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).