4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid

C20H14ClFN2O5S — CID 12017247

IUPAC4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClFN2O5S/c21-13-3-8-16(9-4-13)30(28,29)24-18-10-5-14(22)11-17(18)19(25)23-15-6-1-12(2-7-15)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyQKZGJWKXEYNKKH-UHFFFAOYSA-N
MW448.86 g/mol
LogP4.23
Rot. Bonds6

About 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid

4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid (PubChem CID 12017247) has the molecular formula C20H14ClFN2O5S and a molecular weight of 448.86 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
PubChem CID12017247
Molecular FormulaC20H14ClFN2O5S
Molecular Weight448.86 g/mol
Exact Mass448.03
IUPAC Name4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClFN2O5S/c21-13-3-8-16(9-4-13)30(28,29)24-18-10-5-14(22)11-17(18)19(25)23-15-6-1-12(2-7-15)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyQKZGJWKXEYNKKH-UHFFFAOYSA-N
XLogP4.23
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 12017243
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid (CID 12017247) is 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid?
The InChIKey is QKZGJWKXEYNKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O5S/c21-13-3-8-16(9-4-13)30(28,29)24-18-10-5-14(22)11-17(18)19(25)23-15-6-1-12(2-7-15)20(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid?
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid has a molecular weight of 448.86 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 12017247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).