N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide

C16H24FN3O3S — CID 53281423

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24FN3O3S/c1-4-18-9-11-19(12-10-18)16(21)13(2)20(24(3,22)23)15-7-5-14(17)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyHYABYZKPMPKFBX-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.14
Rot. Bonds5

About N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide

N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 53281423) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
PubChem CID53281423
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCCN1CCN(C(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24FN3O3S/c1-4-18-9-11-19(12-10-18)16(21)13(2)20(24(3,22)23)15-7-5-14(17)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyHYABYZKPMPKFBX-UHFFFAOYSA-N
XLogP1.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide (CID 53281423) is N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide is CCN1CCN(C(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is HYABYZKPMPKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-4-18-9-11-19(12-10-18)16(21)13(2)20(24(3,22)23)15-7-5-14(17)6-8-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide?
N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 53281423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).