4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

C19H16N4O5S — CID 18107687

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-13-14-8-10-20-11-9-14)15-4-6-16(7-5-15)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,13H2,(H,21,24)
InChIKeyJKTGOHDJYDDCNO-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.72
Rot. Bonds7

About 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 18107687) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID18107687
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-13-14-8-10-20-11-9-14)15-4-6-16(7-5-15)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,13H2,(H,21,24)
InChIKeyJKTGOHDJYDDCNO-UHFFFAOYSA-N
XLogP2.72
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.72
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

N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946421
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (CID 18107687) is 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JKTGOHDJYDDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-19(21-13-14-8-10-20-11-9-14)15-4-6-16(7-5-15)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,13H2,(H,21,24).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 412.43 g/mol, XLogP of 2.72, 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-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 18107687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).