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

C18H14N4O6S — CID 18109617

IUPACN-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H14N4O6S/c23-16-5-2-10-19-17(16)20-18(24)12-6-8-13(9-7-12)21-29(27,28)15-4-1-3-14(11-15)22(25)26/h1-11,21,23H,(H,19,20,24)
InChIKeyXDWMOPOGIXVAQO-UHFFFAOYSA-N
MW414.40 g/mol
LogP2.75
Rot. Bonds6

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

N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 18109617) has the molecular formula C18H14N4O6S and a molecular weight of 414.40 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID18109617
Molecular FormulaC18H14N4O6S
Molecular Weight414.40 g/mol
Exact Mass414.06
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H14N4O6S/c23-16-5-2-10-19-17(16)20-18(24)12-6-8-13(9-7-12)21-29(27,28)15-4-1-3-14(11-15)22(25)26/h1-11,21,23H,(H,19,20,24)
InChIKeyXDWMOPOGIXVAQO-UHFFFAOYSA-N
XLogP2.75
TPSA151.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680
4-[(3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3662701
4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
CID 55951039
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
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)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
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
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 18109617) is N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is O=C(Nc1ncccc1O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is XDWMOPOGIXVAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O6S/c23-16-5-2-10-19-17(16)20-18(24)12-6-8-13(9-7-12)21-29(27,28)15-4-1-3-14(11-15)22(25)26/h1-11,21,23H,(H,19,20,24).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 414.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 18109617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).