1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

C19H24N2O5S — CID 3853607

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-6-4-5-15(13-16)20-9-11-21(12-10-20)27(22,23)19-14-17(25-2)7-8-18(19)26-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyAQVIFHPQFQCETA-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.22
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (PubChem CID 3853607) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
PubChem CID3853607
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-6-4-5-15(13-16)20-9-11-21(12-10-20)27(22,23)19-14-17(25-2)7-8-18(19)26-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyAQVIFHPQFQCETA-UHFFFAOYSA-N
XLogP2.22
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
CID 4741945
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
CID 58845026
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (CID 3853607) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The InChIKey is AQVIFHPQFQCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-24-16-6-4-5-15(13-16)20-9-11-21(12-10-20)27(22,23)19-14-17(25-2)7-8-18(19)26-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine has a molecular weight of 392.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3853607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).