4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

C17H18N4O4S — CID 120763173

IUPAC4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H18N4O4S/c1-24-15-7-3-2-5-12(15)14-11-18-9-10-21(14)26(22,23)16-8-4-6-13-17(16)20-25-19-13/h2-8,14,18H,9-11H2,1H3
InChIKeyZEVRAXOOLVBJBU-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.57
Rot. Bonds4

About 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (PubChem CID 120763173) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
PubChem CID120763173
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H18N4O4S/c1-24-15-7-3-2-5-12(15)14-11-18-9-10-21(14)26(22,23)16-8-4-6-13-17(16)20-25-19-13/h2-8,14,18H,9-11H2,1H3
InChIKeyZEVRAXOOLVBJBU-UHFFFAOYSA-N
XLogP1.57
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120764643
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (CID 120763173) is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is COc1ccccc1C1CNCCN1S(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is ZEVRAXOOLVBJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-24-15-7-3-2-5-12(15)14-11-18-9-10-21(14)26(22,23)16-8-4-6-13-17(16)20-25-19-13/h2-8,14,18H,9-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 374.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 120763173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).