1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine

C13H20N2O3S — CID 843240

IUPAC1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-3-14-8-10-15(11-9-14)19(16,17)13-6-4-12(18-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyZTRNHTDJHCEBQQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.02
Rot. Bonds4

About 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine

1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 843240) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID843240
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-3-14-8-10-15(11-9-14)19(16,17)13-6-4-12(18-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyZTRNHTDJHCEBQQ-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-(2-bromoethyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane
CID 80677457
4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione
CID 9234930
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine (CID 843240) is 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is ZTRNHTDJHCEBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-14-8-10-15(11-9-14)19(16,17)13-6-4-12(18-2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine?
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 843240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).