4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C18H19FN2O4S — CID 1310208

IUPAC4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-16-9-4-13(18(23)20-14-5-7-15(22)8-6-14)12-17(16)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23)
InChIKeyIJGZUZQHTQTSCB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds4

About 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1310208) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1310208
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19FN2O4S/c19-16-9-4-13(18(23)20-14-5-7-15(22)8-6-14)12-17(16)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23)
InChIKeyIJGZUZQHTQTSCB-UHFFFAOYSA-N
XLogP2.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-(4-fluorobenzenesulfonamido)-4-hydroxyphenyl)-(1,1'-biphenyl)-4-carboxamide
CID 138005721
3-(Azepane-1-sulfonyl)-N-(3-hydroxy-phenyl)-4-methyl-benzamide
CID 1333163
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637
Scp-1
CID 667575
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
3-[[Oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid
CID 3242230
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1310208) is 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(O)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IJGZUZQHTQTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-16-9-4-13(18(23)20-14-5-7-15(22)8-6-14)12-17(16)26(24,25)21-10-2-1-3-11-21/h4-9,12,22H,1-3,10-11H2,(H,20,23).
What are the key properties of 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1310208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).