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

C18H20N2O4S — CID 3115504

IUPACN-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O4S/c21-16-9-7-15(8-10-16)19-18(22)14-5-4-6-17(13-14)25(23,24)20-11-2-1-3-12-20/h4-10,13,21H,1-3,11-12H2,(H,19,22)
InChIKeyJMVNCWMMNWAPME-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.82
Rot. Bonds4

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

N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 3115504) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID3115504
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O4S/c21-16-9-7-15(8-10-16)19-18(22)14-5-4-6-17(13-14)25(23,24)20-11-2-1-3-12-20/h4-10,13,21H,1-3,11-12H2,(H,19,22)
InChIKeyJMVNCWMMNWAPME-UHFFFAOYSA-N
XLogP2.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.82
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-(4-hydroxyphenyl)-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16804868
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
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 16804877
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
Scp-1
CID 667575
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
3-[(4-Methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1355806

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 3115504) is N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JMVNCWMMNWAPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-16-9-7-15(8-10-16)19-18(22)14-5-4-6-17(13-14)25(23,24)20-11-2-1-3-12-20/h4-10,13,21H,1-3,11-12H2,(H,19,22).
What are the key properties of N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3115504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).