1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine

C19H24N2O5S2 — CID 19684101

IUPAC1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-16-4-8-18(9-5-16)27(22,23)20-12-14-21(15-13-20)28(24,25)19-10-6-17(26-2)7-11-19/h4-11H,3,12-15H2,1-2H3
InChIKeyCXXMAQIBLRDRRL-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.95
Rot. Bonds6

About 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine

1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 19684101) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID19684101
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-16-4-8-18(9-5-16)27(22,23)20-12-14-21(15-13-20)28(24,25)19-10-6-17(26-2)7-11-19/h4-11H,3,12-15H2,1-2H3
InChIKeyCXXMAQIBLRDRRL-UHFFFAOYSA-N
XLogP1.95
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-(4-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8659962
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-ethylthiophen-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90137728
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine (CID 19684101) is 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is CXXMAQIBLRDRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-3-16-4-8-18(9-5-16)27(22,23)20-12-14-21(15-13-20)28(24,25)19-10-6-17(26-2)7-11-19/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 424.54 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).