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

C19H16N4O5S — CID 4560041

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-13-14-3-2-10-20-12-14)15-6-8-16(9-7-15)22-29(27,28)18-5-1-4-17(11-18)23(25)26/h1-12,22H,13H2,(H,21,24)
InChIKeyYWDNWCZEFNPPOD-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.72
Rot. Bonds7

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

4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4560041) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4560041
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-13-14-3-2-10-20-12-14)15-6-8-16(9-7-15)22-29(27,28)18-5-1-4-17(11-18)23(25)26/h1-12,22H,13H2,(H,21,24)
InChIKeyYWDNWCZEFNPPOD-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 4560041) is 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YWDNWCZEFNPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-19(21-13-14-3-2-10-20-12-14)15-6-8-16(9-7-15)22-29(27,28)18-5-1-4-17(11-18)23(25)26/h1-12,22H,13H2,(H,21,24).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-3-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-3-ylmethyl)benzamide is sourced from PubChem (CID 4560041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).