1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

C17H18ClFN2O3S — CID 3756264

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-24-14-4-2-13(3-5-14)20-8-10-21(11-9-20)25(22,23)15-6-7-17(19)16(18)12-15/h2-7,12H,8-11H2,1H3
InChIKeyKDDZSOLIJAOHLH-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.00
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (PubChem CID 3756264) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
PubChem CID3756264
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-24-14-4-2-13(3-5-14)20-8-10-21(11-9-20)25(22,23)15-6-7-17(19)16(18)12-15/h2-7,12H,8-11H2,1H3
InChIKeyKDDZSOLIJAOHLH-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756188
2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 3585654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CID 3756264) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is KDDZSOLIJAOHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-24-14-4-2-13(3-5-14)20-8-10-21(11-9-20)25(22,23)15-6-7-17(19)16(18)12-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 384.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 3756264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).