1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine

C19H21Cl3N2O3S — CID 2215645

IUPAC1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21Cl3N2O3S/c20-16-7-6-15(14-18(16)22)28(25,26)24-11-9-23(10-12-24)8-3-13-27-19-5-2-1-4-17(19)21/h1-2,4-7,14H,3,8-13H2
InChIKeyFDPPFJIHYZNGCE-UHFFFAOYSA-N
MW463.81 g/mol
LogP4.42
Rot. Bonds7

About 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine

1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 2215645) has the molecular formula C19H21Cl3N2O3S and a molecular weight of 463.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID2215645
Molecular FormulaC19H21Cl3N2O3S
Molecular Weight463.81 g/mol
Exact Mass462.03
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21Cl3N2O3S/c20-16-7-6-15(14-18(16)22)28(25,26)24-11-9-23(10-12-24)8-3-13-27-19-5-2-1-4-17(19)21/h1-2,4-7,14H,3,8-13H2
InChIKeyFDPPFJIHYZNGCE-UHFFFAOYSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 54.42
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

3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
1-[3-(3,4-dichlorophenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 142055515
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110638277
1-[4-[2-(2-chlorophenoxy)ethoxy]-3-nitrophenyl]sulfonylpyrrolidine
CID 3412411
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
4-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)butanoic acid
CID 146132875
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine (CID 2215645) is 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCCOc2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is FDPPFJIHYZNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O3S/c20-16-7-6-15(14-18(16)22)28(25,26)24-11-9-23(10-12-24)8-3-13-27-19-5-2-1-4-17(19)21/h1-2,4-7,14H,3,8-13H2.
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine?
1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 463.81 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2215645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).