N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide

C26H20N2O4S — CID 58454643

IUPACN-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=C(Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C26H20N2O4S/c29-25(24-12-6-7-17-27-24)18-19-13-15-21(16-14-19)33(31,32)28-23-11-5-4-10-22(23)26(30)20-8-2-1-3-9-20/h1-17,28H,18H2
InChIKeyLTLZWDHZRCULDB-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.54
Rot. Bonds8

About N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide

N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 58454643) has the molecular formula C26H20N2O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID58454643
Molecular FormulaC26H20N2O4S
Molecular Weight456.52 g/mol
Exact Mass456.11
IUPAC NameN-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=C(Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C26H20N2O4S/c29-25(24-12-6-7-17-27-24)18-19-13-15-21(16-14-19)33(31,32)28-23-11-5-4-10-22(23)26(30)20-8-2-1-3-9-20/h1-17,28H,18H2
InChIKeyLTLZWDHZRCULDB-UHFFFAOYSA-N
XLogP4.54
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

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CID 53310399
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
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(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
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4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 153331980

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide (CID 58454643) is N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide is O=C(Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is LTLZWDHZRCULDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S/c29-25(24-12-6-7-17-27-24)18-19-13-15-21(16-14-19)33(31,32)28-23-11-5-4-10-22(23)26(30)20-8-2-1-3-9-20/h1-17,28H,18H2.
What are the key properties of N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide?
N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 456.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-(2-oxo-2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 58454643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).