1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine

C20H26N2O6S2 — CID 1125110

IUPAC1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H26N2O6S2/c1-15-5-7-17(27-3)19(13-15)29(23,24)21-9-11-22(12-10-21)30(25,26)20-14-16(2)6-8-18(20)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIUWDDWOMOJRQQE-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.02
Rot. Bonds6

About 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine (PubChem CID 1125110) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
PubChem CID1125110
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H26N2O6S2/c1-15-5-7-17(27-3)19(13-15)29(23,24)21-9-11-22(12-10-21)30(25,26)20-14-16(2)6-8-18(20)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIUWDDWOMOJRQQE-UHFFFAOYSA-N
XLogP2.02
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780890
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1-[(2-methoxy-5-methylphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium
CID 9191483

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine (CID 1125110) is 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine?
The InChIKey is IUWDDWOMOJRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-15-5-7-17(27-3)19(13-15)29(23,24)21-9-11-22(12-10-21)30(25,26)20-14-16(2)6-8-18(20)28-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine?
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine has a molecular weight of 454.57 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine is sourced from PubChem (CID 1125110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).