1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine

C18H21ClN2O5S2 — CID 2525429

IUPAC1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-2-26-15-7-9-16(10-8-15)27(22,23)20-11-13-21(14-12-20)28(24,25)18-6-4-3-5-17(18)19/h3-10H,2,11-14H2,1H3
InChIKeyTYZMFZRXOLOLMQ-UHFFFAOYSA-N
MW444.96 g/mol
LogP2.43
Rot. Bonds6

About 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine

1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 2525429) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID2525429
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-2-26-15-7-9-16(10-8-15)27(22,23)20-11-13-21(14-12-20)28(24,25)18-6-4-3-5-17(18)19/h3-10H,2,11-14H2,1H3
InChIKeyTYZMFZRXOLOLMQ-UHFFFAOYSA-N
XLogP2.43
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
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1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708179
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
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CID 1306330

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 2525429) is 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is TYZMFZRXOLOLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-2-26-15-7-9-16(10-8-15)27(22,23)20-11-13-21(14-12-20)28(24,25)18-6-4-3-5-17(18)19/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 444.96 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 2525429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).