4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide

C19H13FN2O5S — CID 8922506

IUPAC4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O5S/c20-14-3-1-13(2-4-14)19(23)21-15-5-9-17(10-6-15)28(26,27)18-11-7-16(8-12-18)22(24)25/h1-12H,(H,21,23)
InChIKeySVIMJXVOGXLHOJ-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.82
Rot. Bonds5

About 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide

4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide (PubChem CID 8922506) has the molecular formula C19H13FN2O5S and a molecular weight of 400.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
PubChem CID8922506
Molecular FormulaC19H13FN2O5S
Molecular Weight400.39 g/mol
Exact Mass400.05
IUPAC Name4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O5S/c20-14-3-1-13(2-4-14)19(23)21-15-5-9-17(10-6-15)28(26,27)18-11-7-16(8-12-18)22(24)25/h1-12H,(H,21,23)
InChIKeySVIMJXVOGXLHOJ-UHFFFAOYSA-N
XLogP3.82
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
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

4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-fluoro-4-methoxy-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 30996982
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 19644971
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134154346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide (CID 8922506) is 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide?
The InChIKey is SVIMJXVOGXLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O5S/c20-14-3-1-13(2-4-14)19(23)21-15-5-9-17(10-6-15)28(26,27)18-11-7-16(8-12-18)22(24)25/h1-12H,(H,21,23).
What are the key properties of 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide?
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide has a molecular weight of 400.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide is sourced from PubChem (CID 8922506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).