1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

C20H25ClN2O4S — CID 2209348

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1
InChIInChI=1S/C20H25ClN2O4S/c1-4-27-18-8-6-5-7-17(18)22-9-11-23(12-10-22)28(24,25)20-14-16(21)15(2)13-19(20)26-3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZSRMFTALRJJNML-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.57
Rot. Bonds6

About 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (PubChem CID 2209348) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
PubChem CID2209348
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1
InChIInChI=1S/C20H25ClN2O4S/c1-4-27-18-8-6-5-7-17(18)22-9-11-23(12-10-22)28(24,25)20-14-16(21)15(2)13-19(20)26-3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZSRMFTALRJJNML-UHFFFAOYSA-N
XLogP3.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
CID 146095918
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (CID 2209348) is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The InChIKey is ZSRMFTALRJJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-27-18-8-6-5-7-17(18)22-9-11-23(12-10-22)28(24,25)20-14-16(21)15(2)13-19(20)26-3/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine has a molecular weight of 424.95 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 2209348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).