N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide

C26H20N2O4S — CID 1144109

IUPACN-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H20N2O4S/c29-25(19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-26(30)20-11-17-24(18-12-20)33(31,32)23-9-5-2-6-10-23/h1-18H,(H,27,29)(H,28,30)
InChIKeyNWUMOPSJXSPKTH-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.02
Rot. Bonds6

About N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide

N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide (PubChem CID 1144109) has the molecular formula C26H20N2O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide
PubChem CID1144109
Molecular FormulaC26H20N2O4S
Molecular Weight456.52 g/mol
Exact Mass456.11
IUPAC NameN-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H20N2O4S/c29-25(19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-26(30)20-11-17-24(18-12-20)33(31,32)23-9-5-2-6-10-23/h1-18H,(H,27,29)(H,28,30)
InChIKeyNWUMOPSJXSPKTH-UHFFFAOYSA-N
XLogP5.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-Dibenzoylaminodiphenyl disulfide
CID 67271
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
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Piperidine Derivative 23
CID 10392865
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
2,3,4,5,6-pentafluoro-N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzamide
CID 2181065
N-[4-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfonylphenyl]-2-[[2-[[4-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfonylphenyl]carbamoyl]phenyl]disulfanyl]benzamide
CID 16129923
N-[4-(2-anilinoethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738526
N-[4-[[benzyl(methyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738558
N-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738586
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 141738603
2,2'-Dithiobis(N-phenylbenzamide)
CID 457467

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide?
The IUPAC name of N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide (CID 1144109) is N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide?
The canonical SMILES for N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide is O=C(Nc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide?
The InChIKey is NWUMOPSJXSPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S/c29-25(19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-26(30)20-11-17-24(18-12-20)33(31,32)23-9-5-2-6-10-23/h1-18H,(H,27,29)(H,28,30).
What are the key properties of N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide?
N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide has a molecular weight of 456.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-4-(benzenesulfonyl)benzamide is sourced from PubChem (CID 1144109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).