1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

C17H19ClN2O3S — CID 1068085

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3
InChIKeyWTXZSPLQEKAFCB-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 1068085) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID1068085
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3
InChIKeyWTXZSPLQEKAFCB-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 1068085) is 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is WTXZSPLQEKAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(2-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-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1068085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).