ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate

C15H22N2O5S — CID 975409

IUPACethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C15H22N2O5S/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-11-9-16(10-12-17)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGUVOARYYPAWPHZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.55
Rot. Bonds5

About ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 975409) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID975409
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C15H22N2O5S/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-11-9-16(10-12-17)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGUVOARYYPAWPHZ-UHFFFAOYSA-N
XLogP1.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 975409) is ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is GUVOARYYPAWPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-11-9-16(10-12-17)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 975409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).