N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

C26H20FN3O4S — CID 55869973

IUPACN-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H20FN3O4S/c27-19-13-15-22(16-14-19)35(33,34)30-24-12-5-4-11-23(24)26(32)29-21-10-6-9-20(17-21)28-25(31)18-7-2-1-3-8-18/h1-17,30H,(H,28,31)(H,29,32)
InChIKeyFKCRMBHLRSJODL-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.13
Rot. Bonds7

About N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 55869973) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID55869973
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC NameN-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H20FN3O4S/c27-19-13-15-22(16-14-19)35(33,34)30-24-12-5-4-11-23(24)26(32)29-21-10-6-9-20(17-21)28-25(31)18-7-2-1-3-8-18/h1-17,30H,(H,28,31)(H,29,32)
InChIKeyFKCRMBHLRSJODL-UHFFFAOYSA-N
XLogP5.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109061815
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 55869973) is N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is FKCRMBHLRSJODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c27-19-13-15-22(16-14-19)35(33,34)30-24-12-5-4-11-23(24)26(32)29-21-10-6-9-20(17-21)28-25(31)18-7-2-1-3-8-18/h1-17,30H,(H,28,31)(H,29,32).
What are the key properties of N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 489.53 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55869973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).