N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide

C15H24FN3O2S — CID 51102916

IUPACN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C15H24FN3O2S/c1-4-18-7-9-19(10-8-18)15-6-5-13(16)11-14(15)12(2)17-22(3,20)21/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyNMFSYTCDYASMFV-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.58
Rot. Bonds5

About N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide (PubChem CID 51102916) has the molecular formula C15H24FN3O2S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide
PubChem CID51102916
Molecular FormulaC15H24FN3O2S
Molecular Weight329.44 g/mol
Exact Mass329.16
IUPAC NameN-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C15H24FN3O2S/c1-4-18-7-9-19(10-8-18)15-6-5-13(16)11-14(15)12(2)17-22(3,20)21/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyNMFSYTCDYASMFV-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 66693
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CID 41694
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CID 2833381
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CID 10774576
CID 10774576
CID 14479835
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CID 14998846
CID 14998846
CID 18511977
CID 18511977
CID 18512022
CID 18512022
CID 18512161
CID 18512161
CID 18512170
CID 18512170
CID 24822173
CID 24822173

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide (CID 51102916) is N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide is CCN1CCN(c2ccc(F)cc2C(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide?
The InChIKey is NMFSYTCDYASMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2S/c1-4-18-7-9-19(10-8-18)15-6-5-13(16)11-14(15)12(2)17-22(3,20)21/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide?
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 51102916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).