1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine

C14H22N2O4S — CID 971615

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C14H22N2O4S/c1-4-15-7-9-16(10-8-15)21(17,18)14-11-12(19-2)5-6-13(14)20-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJLENCVNNHJNEOA-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.03
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine (PubChem CID 971615) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine
PubChem CID971615
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C14H22N2O4S/c1-4-15-7-9-16(10-8-15)21(17,18)14-11-12(19-2)5-6-13(14)20-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJLENCVNNHJNEOA-UHFFFAOYSA-N
XLogP1.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2-[(2,5-Dimethoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466395
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
Ethyl 4-[(2,5-diethoxyphenyl)sulfonyl]piperazine-1-carboxylate
CID 1260938

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine (CID 971615) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is JLENCVNNHJNEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-15-7-9-16(10-8-15)21(17,18)14-11-12(19-2)5-6-13(14)20-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 314.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 971615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).