1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

C17H19ClN2O3S — CID 1160819

IUPAC1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-23-16-6-4-15(5-7-16)19-10-12-20(13-11-19)24(21,22)17-8-2-14(18)3-9-17/h2-9H,10-13H2,1H3
InChIKeyPFNRRKPZQREFEY-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (PubChem CID 1160819) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
PubChem CID1160819
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-23-16-6-4-15(5-7-16)19-10-12-20(13-11-19)24(21,22)17-8-2-14(18)3-9-17/h2-9H,10-13H2,1H3
InChIKeyPFNRRKPZQREFEY-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.86
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-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide
CID 22578930
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CID 1160819) is 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is PFNRRKPZQREFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-23-16-6-4-15(5-7-16)19-10-12-20(13-11-19)24(21,22)17-8-2-14(18)3-9-17/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 366.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 1160819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).