1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine

C20H26N2O2S — CID 4994124

IUPAC1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-3-18-7-9-20(10-8-18)25(23,24)22-13-11-21(12-14-22)16-19-6-4-5-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyFYMQFXMNVDGNPD-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine

1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 4994124) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
PubChem CID4994124
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-3-18-7-9-20(10-8-18)25(23,24)22-13-11-21(12-14-22)16-19-6-4-5-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyFYMQFXMNVDGNPD-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961
N-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 25040953
1-(4-methyl-3-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 9302099
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
CID 55361889
1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine
CID 1364878
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110398823
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine (CID 4994124) is 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine is CCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is FYMQFXMNVDGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-18-7-9-20(10-8-18)25(23,24)22-13-11-21(12-14-22)16-19-6-4-5-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine?
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 358.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 4994124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).