N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

C19H14FN3O5S — CID 26594001

IUPACN-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14FN3O5S/c20-14-6-10-15(11-7-14)21-19(24)13-4-8-16(9-5-13)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,(H,21,24)
InChIKeyKQEHLNOMPYDXFB-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.79
Rot. Bonds6

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

N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26594001) has the molecular formula C19H14FN3O5S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID26594001
Molecular FormulaC19H14FN3O5S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14FN3O5S/c20-14-6-10-15(11-7-14)21-19(24)13-4-8-16(9-5-13)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,(H,21,24)
InChIKeyKQEHLNOMPYDXFB-UHFFFAOYSA-N
XLogP3.79
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617
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-(1H-1,2,4-triazol-5-yl)benzamide
CID 3662701
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26538703
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide
CID 1237508
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 26594001) is N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is KQEHLNOMPYDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5S/c20-14-6-10-15(11-7-14)21-19(24)13-4-8-16(9-5-13)22-29(27,28)18-3-1-2-17(12-18)23(25)26/h1-12,22H,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 415.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).