4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine

C20H26N2O4S — CID 110293341

IUPAC4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
SMILESCOc1cccc(C2CN(S(=O)(=O)c3cc(C)ccc3OC)CCN2C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-8-9-19(26-4)20(12-15)27(23,24)22-11-10-21(2)18(14-22)16-6-5-7-17(13-16)25-3/h5-9,12-13,18H,10-11,14H2,1-4H3
InChIKeyWXUAPDKBGBUCKF-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.69
Rot. Bonds5

About 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine

4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine (PubChem CID 110293341) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
PubChem CID110293341
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
SMILESCOc1cccc(C2CN(S(=O)(=O)c3cc(C)ccc3OC)CCN2C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-8-9-19(26-4)20(12-15)27(23,24)22-11-10-21(2)18(14-22)16-6-5-7-17(13-16)25-3/h5-9,12-13,18H,10-11,14H2,1-4H3
InChIKeyWXUAPDKBGBUCKF-UHFFFAOYSA-N
XLogP2.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293346
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 110293430
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine (CID 110293341) is 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine is COc1cccc(C2CN(S(=O)(=O)c3cc(C)ccc3OC)CCN2C)c1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The InChIKey is WXUAPDKBGBUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-8-9-19(26-4)20(12-15)27(23,24)22-11-10-21(2)18(14-22)16-6-5-7-17(13-16)25-3/h5-9,12-13,18H,10-11,14H2,1-4H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine has a molecular weight of 390.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 110293341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).