N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide

C26H21FN2O3S — CID 46386301

IUPACN-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1
InChIInChI=1S/C26H21FN2O3S/c27-23-8-4-7-22(17-23)20-11-15-25(16-12-20)33(31,32)29-24-13-9-21(10-14-24)26(30)28-18-19-5-2-1-3-6-19/h1-17,29H,18H2,(H,28,30)
InChIKeyOOILGGZAKZFUIK-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.22
Rot. Bonds7

About N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide

N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide (PubChem CID 46386301) has the molecular formula C26H21FN2O3S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
PubChem CID46386301
Molecular FormulaC26H21FN2O3S
Molecular Weight460.53 g/mol
Exact Mass460.13
IUPAC NameN-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1
InChIInChI=1S/C26H21FN2O3S/c27-23-8-4-7-22(17-23)20-11-15-25(16-12-20)33(31,32)29-24-13-9-21(10-14-24)26(30)28-18-19-5-2-1-3-6-19/h1-17,29H,18H2,(H,28,30)
InChIKeyOOILGGZAKZFUIK-UHFFFAOYSA-N
XLogP5.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 36900818
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide (CID 46386301) is N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide is O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide?
The InChIKey is OOILGGZAKZFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3S/c27-23-8-4-7-22(17-23)20-11-15-25(16-12-20)33(31,32)29-24-13-9-21(10-14-24)26(30)28-18-19-5-2-1-3-6-19/h1-17,29H,18H2,(H,28,30).
What are the key properties of N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide?
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide has a molecular weight of 460.53 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 46386301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).