propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate

C15H21FN2O4S — CID 26011512

IUPACpropan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-12(2)22-15(19)11-17-6-8-18(9-7-17)23(20,21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyPHZGNPQEQIQWJP-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.08
Rot. Bonds5

About propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate

propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 26011512) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID26011512
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Namepropan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-12(2)22-15(19)11-17-6-8-18(9-7-17)23(20,21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyPHZGNPQEQIQWJP-UHFFFAOYSA-N
XLogP1.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
CID 2663725
methyl 2-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]acetate
CID 61140997
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31372732
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate (CID 26011512) is propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is PHZGNPQEQIQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-12(2)22-15(19)11-17-6-8-18(9-7-17)23(20,21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 344.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 26011512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).