1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

C18H21FN2O4S — CID 1115767

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-7-8-17(25-2)18(13-16)26(22,23)21-11-9-20(10-12-21)15-5-3-14(19)4-6-15/h3-8,13H,9-12H2,1-2H3
InChIKeySPDSXTUGIBHEKZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 1115767) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID1115767
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-7-8-17(25-2)18(13-16)26(22,23)21-11-9-20(10-12-21)15-5-3-14(19)4-6-15/h3-8,13H,9-12H2,1-2H3
InChIKeySPDSXTUGIBHEKZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzenesulfonamide
CID 44403225
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1201987
1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 1260301
1-(4-Butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2921330
4-Methoxy-N-{3-[4-(o-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42388975
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42389467
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-1-methyl-propyl}-benzenesulfonamide
CID 42635571
4-Methoxy-N-[3-(4-phenyl-piperazin-1-yl)-1-methyl-propyl]-benzenesulfonamide
CID 42635572
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2,5-dimethoxybenzenesulfonamide
CID 44431562
N-(4-Fluoro-phenyl)-N-isobutyl-4-(1-methanesulfonyl-piperidin-4-yloxy)-benzenesulfonamide
CID 76284182
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-3-methoxybenzenesulfonamide
CID 89659441

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 1115767) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is SPDSXTUGIBHEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-24-16-7-8-17(25-2)18(13-16)26(22,23)21-11-9-20(10-12-21)15-5-3-14(19)4-6-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 380.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1115767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).