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

C19H21F3N2O3S — CID 27634956

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F3N2O3S/c20-15-2-4-16(5-3-15)27-13-1-8-23-9-11-24(12-10-23)28(25,26)17-6-7-18(21)19(22)14-17/h2-7,14H,1,8-13H2
InChIKeyRIDOSADDSVOLQF-UHFFFAOYSA-N
MW414.45 g/mol
LogP2.88
Rot. Bonds7

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

1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine (PubChem CID 27634956) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
PubChem CID27634956
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F3N2O3S/c20-15-2-4-16(5-3-15)27-13-1-8-23-9-11-24(12-10-23)28(25,26)17-6-7-18(21)19(22)14-17/h2-7,14H,1,8-13H2
InChIKeyRIDOSADDSVOLQF-UHFFFAOYSA-N
XLogP2.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 52.88
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-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
1-[3-(3,4-dichlorophenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 142055515
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2215645
1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
CID 8771570
1-[2-(3-chlorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 18082849
1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
CID 39367532
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine (CID 27634956) is 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine?
The InChIKey is RIDOSADDSVOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c20-15-2-4-16(5-3-15)27-13-1-8-23-9-11-24(12-10-23)28(25,26)17-6-7-18(21)19(22)14-17/h2-7,14H,1,8-13H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine has a molecular weight of 414.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine is sourced from PubChem (CID 27634956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).