4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide

C18H20N2O4S — CID 135393500

IUPAC4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
InChIKeyXEMCUUOBNNOBLG-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.46
Rot. Bonds3

About 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide

4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 135393500) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID135393500
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
InChIKeyXEMCUUOBNNOBLG-UHFFFAOYSA-N
XLogP1.46
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-(dibenzylsulfamoyl)benzoic Acid
CID 4552362
4-[4-(4-Chlorophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
CID 155515980
4-[4-(4-Bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
CID 155556521
4-(4-Acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 155568445
4-(4-Benzylpiperidine-1-carbonyl)benzenesulfonamide
CID 155569076
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-sulfamoylphenyl)acetamide
CID 44194589
4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
CID 863775
4-(4-Phenylacetylamino-piperidine-1-sulfonyl)-benzoic acid
CID 1445148
4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid
CID 2050040
4-(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclopropyl)benzamide
CID 11478011
[(4R,4aS,8aS)-4-hydroxy-4-(4-methylsulfonylphenyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54582250

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 135393500) is 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XEMCUUOBNNOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24).
What are the key properties of 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 135393500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).