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

C20H15FN2O5S — CID 12017257

IUPAC4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O5S/c21-14-8-11-18(23-29(27,28)16-4-2-1-3-5-16)17(12-14)19(24)22-15-9-6-13(7-10-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyZACAZWMICZRXQH-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.58
Rot. Bonds6

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

4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid (PubChem CID 12017257) has the molecular formula C20H15FN2O5S and a molecular weight of 414.41 g/mol. Its IUPAC name is 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
PubChem CID12017257
Molecular FormulaC20H15FN2O5S
Molecular Weight414.41 g/mol
Exact Mass414.07
IUPAC Name4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O5S/c21-14-8-11-18(23-29(27,28)16-4-2-1-3-5-16)17(12-14)19(24)22-15-9-6-13(7-10-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyZACAZWMICZRXQH-UHFFFAOYSA-N
XLogP3.58
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
CID 166636313
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
CID 137373937
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid (CID 12017257) is 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid?
The InChIKey is ZACAZWMICZRXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5S/c21-14-8-11-18(23-29(27,28)16-4-2-1-3-5-16)17(12-14)19(24)22-15-9-6-13(7-10-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26).
What are the key properties of 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid?
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid has a molecular weight of 414.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 12017257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).