1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine

C19H23ClN2O3S — CID 1122447

IUPAC1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-25-18-7-3-16(4-8-18)15-21-11-13-22(14-12-21)26(23,24)19-9-5-17(20)6-10-19/h3-10H,2,11-15H2,1H3
InChIKeyAMAGQBYTPFYVDR-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine

1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine (PubChem CID 1122447) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine
PubChem CID1122447
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-25-18-7-3-16(4-8-18)15-21-11-13-22(14-12-21)26(23,24)19-9-5-17(20)6-10-19/h3-10H,2,11-15H2,1H3
InChIKeyAMAGQBYTPFYVDR-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.25
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-[(4-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine (CID 1122447) is 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine is CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine?
The InChIKey is AMAGQBYTPFYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-2-25-18-7-3-16(4-8-18)15-21-11-13-22(14-12-21)26(23,24)19-9-5-17(20)6-10-19/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine?
1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxyphenyl)methyl]piperazine has a molecular weight of 394.92 g/mol, XLogP of 3.25, 6 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-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1122447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).