1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide

C19H21FN2O4S — CID 9495430

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(O)c1
InChIInChI=1S/C19H21FN2O4S/c1-13-2-7-17(18(23)12-13)21-19(24)14-8-10-22(11-9-14)27(25,26)16-5-3-15(20)4-6-16/h2-7,12,14,23H,8-11H2,1H3,(H,21,24)
InChIKeyUSSQTNITOYWETP-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 9495430) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
PubChem CID9495430
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(O)c1
InChIInChI=1S/C19H21FN2O4S/c1-13-2-7-17(18(23)12-13)21-19(24)14-8-10-22(11-9-14)27(25,26)16-5-3-15(20)4-6-16/h2-7,12,14,23H,8-11H2,1H3,(H,21,24)
InChIKeyUSSQTNITOYWETP-UHFFFAOYSA-N
XLogP2.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide (CID 9495430) is 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(O)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is USSQTNITOYWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-2-7-17(18(23)12-13)21-19(24)14-8-10-22(11-9-14)27(25,26)16-5-3-15(20)4-6-16/h2-7,12,14,23H,8-11H2,1H3,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9495430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).