4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide

C24H18N4O5S — CID 55951039

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H18N4O5S/c29-24(26-23-14-11-19(16-25-23)17-5-2-1-3-6-17)18-9-12-20(13-10-18)27-34(32,33)22-8-4-7-21(15-22)28(30)31/h1-16,27H,(H,25,26,29)
InChIKeyTURGJAAYRPDOCE-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.71
Rot. Bonds7

About 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide

4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide (PubChem CID 55951039) has the molecular formula C24H18N4O5S and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
PubChem CID55951039
Molecular FormulaC24H18N4O5S
Molecular Weight474.50 g/mol
Exact Mass474.10
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H18N4O5S/c29-24(26-23-14-11-19(16-25-23)17-5-2-1-3-6-17)18-9-12-20(13-10-18)27-34(32,33)22-8-4-7-21(15-22)28(30)31/h1-16,27H,(H,25,26,29)
InChIKeyTURGJAAYRPDOCE-UHFFFAOYSA-N
XLogP4.71
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634701
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
4-[(3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3662701
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26538703
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
deuterium monohydride;5-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-2-[4-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-2-sulfophenyl]benzenesulfonic acid
CID 161248412
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide (CID 55951039) is 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide?
The InChIKey is TURGJAAYRPDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S/c29-24(26-23-14-11-19(16-25-23)17-5-2-1-3-6-17)18-9-12-20(13-10-18)27-34(32,33)22-8-4-7-21(15-22)28(30)31/h1-16,27H,(H,25,26,29).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide has a molecular weight of 474.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide is sourced from PubChem (CID 55951039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).