2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

C15H19FN2O4S — CID 90592510

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O4S/c1-17-14(19)10-23(21,22)11-6-8-18(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19)
InChIKeyIOQVIWOZXDZHDA-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.59
Rot. Bonds4

About 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592510) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592510
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O4S/c1-17-14(19)10-23(21,22)11-6-8-18(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19)
InChIKeyIOQVIWOZXDZHDA-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide
CID 90592778
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 71796819
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82243413
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592510) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is IOQVIWOZXDZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-17-14(19)10-23(21,22)11-6-8-18(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 342.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).