4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

C24H24N2O6S2 — CID 155558347

IUPAC4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C24H24N2O6S2/c1-17(27)21-6-10-23(11-7-21)33(29,30)25-15-19-4-3-5-20(14-19)16-26-34(31,32)24-12-8-22(9-13-24)18(2)28/h3-14,25-26H,15-16H2,1-2H3
InChIKeyCNSHGSDRSRHVJG-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.05
Rot. Bonds10

About 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 155558347) has the molecular formula C24H24N2O6S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
PubChem CID155558347
Molecular FormulaC24H24N2O6S2
Molecular Weight500.60 g/mol
Exact Mass500.11
IUPAC Name4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C24H24N2O6S2/c1-17(27)21-6-10-23(11-7-21)33(29,30)25-15-19-4-3-5-20(14-19)16-26-34(31,32)24-12-8-22(9-13-24)18(2)28/h3-14,25-26H,15-16H2,1-2H3
InChIKeyCNSHGSDRSRHVJG-UHFFFAOYSA-N
XLogP3.05
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-tosylbenzamide
CID 973097
3-methyl-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431449
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-methyl-benzamide
CID 130431475
4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 4850326
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]-N-propylbenzamide
CID 16294428
2-(3-benzoylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145978605
4-[[(3-Oxo-3-phenylpropyl)amino]carbamoyl]benzenesulfonamide
CID 162395172
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CID 162657742
4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2465531
4-[4-[Benzyl(2-methylpropyl)sulfamoyl]phenyl]benzamide
CID 76282978
4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-N-[2-(4-methylphenyl)ethyl]benzamide
CID 3382585
4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-N-[2-(3-methylphenyl)ethyl]benzamide
CID 3641881

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (CID 155558347) is 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is CNSHGSDRSRHVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S2/c1-17(27)21-6-10-23(11-7-21)33(29,30)25-15-19-4-3-5-20(14-19)16-26-34(31,32)24-12-8-22(9-13-24)18(2)28/h3-14,25-26H,15-16H2,1-2H3.
What are the key properties of 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 500.60 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 155558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).