1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine

C16H22N4O3S — CID 90533550

IUPAC1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C16H22N4O3S/c1-23-15-2-4-16(5-3-15)24(21,22)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h2-7,14H,8-13H2,1H3
InChIKeyWMYCIFZEDWGADN-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.90
Rot. Bonds6

About 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 90533550) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID90533550
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C16H22N4O3S/c1-23-15-2-4-16(5-3-15)24(21,22)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h2-7,14H,8-13H2,1H3
InChIKeyWMYCIFZEDWGADN-UHFFFAOYSA-N
XLogP0.90
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533570
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
1-(2-bromoethyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane
CID 80677457
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[3-(3,4-dichlorophenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 142055515
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46479984
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533564
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 90533550) is 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is WMYCIFZEDWGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-23-15-2-4-16(5-3-15)24(21,22)20-12-10-18(11-13-20)8-9-19-7-6-17-14-19/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 350.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 90533550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).