1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine

C13H20N2O5S2 — CID 2448017

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O5S2/c1-3-20-12-4-6-13(7-5-12)22(18,19)15-10-8-14(9-11-15)21(2,16)17/h4-7H,3,8-11H2,1-2H3
InChIKeyDAWLIZJTOULURK-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.35
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 2448017) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID2448017
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O5S2/c1-3-20-12-4-6-13(7-5-12)22(18,19)15-10-8-14(9-11-15)21(2,16)17/h4-7H,3,8-11H2,1-2H3
InChIKeyDAWLIZJTOULURK-UHFFFAOYSA-N
XLogP0.35
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-(4-ethoxyphenyl)sulfonyl-4-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 53194239
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708179
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine (CID 2448017) is 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is DAWLIZJTOULURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-3-20-12-4-6-13(7-5-12)22(18,19)15-10-8-14(9-11-15)21(2,16)17/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine has a molecular weight of 348.45 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 2448017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).