1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C20H25ClN2O5S — CID 1019569

IUPAC1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25ClN2O5S/c1-26-18-9-4-15(19(27-2)20(18)28-3)14-22-10-12-23(13-11-22)29(24,25)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3
InChIKeyRWGGYJNQHCCMKJ-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.87
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1019569) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1019569
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25ClN2O5S/c1-26-18-9-4-15(19(27-2)20(18)28-3)14-22-10-12-23(13-11-22)29(24,25)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3
InChIKeyRWGGYJNQHCCMKJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1019569) is 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is RWGGYJNQHCCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-26-18-9-4-15(19(27-2)20(18)28-3)14-22-10-12-23(13-11-22)29(24,25)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 440.95 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).