1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C15H20N4O3S — CID 20958623

IUPAC1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-9-7-18(8-10-19)13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMZAYNPNEHFIHIS-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.94
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20958623) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20958623
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-9-7-18(8-10-19)13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMZAYNPNEHFIHIS-UHFFFAOYSA-N
XLogP0.94
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid
CID 21340802
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343615
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxamide
CID 21340801
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958601
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20958623) is 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is MZAYNPNEHFIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-9-7-18(8-10-19)13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 336.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20958623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).