1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

C19H21FN2O3S2 — CID 1209552

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O3S2/c1-26-17-4-2-3-16(13-17)21-19(23)14-9-11-22(12-10-14)27(24,25)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyPJIPPXKDOWSBLC-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 1209552) has the molecular formula C19H21FN2O3S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID1209552
Molecular FormulaC19H21FN2O3S2
Molecular Weight408.52 g/mol
Exact Mass408.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O3S2/c1-26-17-4-2-3-16(13-17)21-19(23)14-9-11-22(12-10-14)27(24,25)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyPJIPPXKDOWSBLC-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 1209552) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is PJIPPXKDOWSBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S2/c1-26-17-4-2-3-16(13-17)21-19(23)14-9-11-22(12-10-14)27(24,25)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).