1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine

C20H24F2N2O3S — CID 8771570

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
SMILESCc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-16-4-2-5-18(14-16)27-13-3-8-23-9-11-24(12-10-23)28(25,26)20-7-6-17(21)15-19(20)22/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyMSYNQQAAYRUWCM-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.05
Rot. Bonds7

About 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine

1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine (PubChem CID 8771570) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
PubChem CID8771570
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
SMILESCc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-16-4-2-5-18(14-16)27-13-3-8-23-9-11-24(12-10-23)28(25,26)20-7-6-17(21)15-19(20)22/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyMSYNQQAAYRUWCM-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
4-(3-methylphenoxy)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 16552672
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
3-(3-chlorophenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39944808
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-(5-bromothiophen-2-yl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 38799381
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine (CID 8771570) is 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine is Cc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine?
The InChIKey is MSYNQQAAYRUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-16-4-2-5-18(14-16)27-13-3-8-23-9-11-24(12-10-23)28(25,26)20-7-6-17(21)15-19(20)22/h2,4-7,14-15H,3,8-13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine?
1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine has a molecular weight of 410.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine is sourced from PubChem (CID 8771570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).