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

C18H21ClN2O3S — CID 3854314

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-2-24-18-6-4-3-5-17(18)20-11-13-21(14-12-20)25(22,23)16-9-7-15(19)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyBCVCJLMMUKGDBN-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.25
Rot. Bonds5

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

1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (PubChem CID 3854314) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
PubChem CID3854314
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-2-24-18-6-4-3-5-17(18)20-11-13-21(14-12-20)25(22,23)16-9-7-15(19)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyBCVCJLMMUKGDBN-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
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-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (CID 3854314) is 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The InChIKey is BCVCJLMMUKGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-24-18-6-4-3-5-17(18)20-11-13-21(14-12-20)25(22,23)16-9-7-15(19)8-10-16/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine has a molecular weight of 380.90 g/mol, XLogP of 3.25, 5 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-ethoxyphenyl)piperazine is sourced from PubChem (CID 3854314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).