1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide

C15H21FN2O4S — CID 22422566

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O4S/c1-22-11-9-17-15(19)14-4-2-3-10-18(14)23(20,21)13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyRFLLTLRQNOETCF-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.13
Rot. Bonds6

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

1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide (PubChem CID 22422566) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide
PubChem CID22422566
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O4S/c1-22-11-9-17-15(19)14-4-2-3-10-18(14)23(20,21)13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyRFLLTLRQNOETCF-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide (CID 22422566) is 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide is COCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide?
The InChIKey is RFLLTLRQNOETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-22-11-9-17-15(19)14-4-2-3-10-18(14)23(20,21)13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.13, 6 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-(2-methoxyethyl)piperidine-2-carboxamide is sourced from PubChem (CID 22422566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).