N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide

C16H24FN3O3S — CID 2986668

IUPACN-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyOZJAFRKWWJNGFI-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.00
Rot. Bonds6

About N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide

N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 2986668) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID2986668
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyOZJAFRKWWJNGFI-UHFFFAOYSA-N
XLogP1.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 2986668) is N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide is CCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is OZJAFRKWWJNGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2986668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).