1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine

C19H23ClN2O2S — CID 17378936

IUPAC1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-2-16-6-8-19(9-7-16)25(23,24)22-12-10-21(11-13-22)15-17-4-3-5-18(20)14-17/h3-9,14H,2,10-13,15H2,1H3
InChIKeyJQLNSPDJJAZKME-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.41
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine

1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 17378936) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID17378936
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-2-16-6-8-19(9-7-16)25(23,24)22-12-10-21(11-13-22)15-17-4-3-5-18(20)14-17/h3-9,14H,2,10-13,15H2,1H3
InChIKeyJQLNSPDJJAZKME-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
methyl 3-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzoate
CID 8757915
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
6-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-diethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68970130

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine (CID 17378936) is 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is JQLNSPDJJAZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-2-16-6-8-19(9-7-16)25(23,24)22-12-10-21(11-13-22)15-17-4-3-5-18(20)14-17/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine?
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 378.93 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17378936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).