3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide

C17H18FN5O3S — CID 128999462

IUPAC3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O
InChIInChI=1S/C17H18FN5O3S/c1-2-23-16(7-8-20-23)22-9-3-4-15(17(22)24)21-27(25,26)13-5-6-14(18)12(10-13)11-19/h5-8,10,15,21H,2-4,9H2,1H3
InChIKeyZOWOOXYMGACEIZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.39
Rot. Bonds5

About 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide

3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 128999462) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID128999462
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O
InChIInChI=1S/C17H18FN5O3S/c1-2-23-16(7-8-20-23)22-9-3-4-15(17(22)24)21-27(25,26)13-5-6-14(18)12(10-13)11-19/h5-8,10,15,21H,2-4,9H2,1H3
InChIKeyZOWOOXYMGACEIZ-UHFFFAOYSA-N
XLogP1.39
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide (CID 128999462) is 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide is CCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O.
What is the InChIKey of 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ZOWOOXYMGACEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-2-23-16(7-8-20-23)22-9-3-4-15(17(22)24)21-27(25,26)13-5-6-14(18)12(10-13)11-19/h5-8,10,15,21H,2-4,9H2,1H3.
What are the key properties of 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide?
3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 391.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 128999462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).