[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

C17H25N3O6S — CID 119692273

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1
InChIInChI=1S/C17H25N3O6S/c1-25-13-3-4-15(26-2)16(10-13)27(23,24)20-7-5-19(6-8-20)17(22)14-9-12(21)11-18-14/h3-4,10,12,14,18,21H,5-9,11H2,1-2H3
InChIKeyWEFXUKXSLHCORW-UHFFFAOYSA-N
MW399.47 g/mol
LogP-0.74
Rot. Bonds5

About [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 119692273) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID119692273
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1
InChIInChI=1S/C17H25N3O6S/c1-25-13-3-4-15(26-2)16(10-13)27(23,24)20-7-5-19(6-8-20)17(22)14-9-12(21)11-18-14/h3-4,10,12,14,18,21H,5-9,11H2,1-2H3
InChIKeyWEFXUKXSLHCORW-UHFFFAOYSA-N
XLogP-0.74
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556402
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983970
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119833167

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 119692273) is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is WEFXUKXSLHCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-25-13-3-4-15(26-2)16(10-13)27(23,24)20-7-5-19(6-8-20)17(22)14-9-12(21)11-18-14/h3-4,10,12,14,18,21H,5-9,11H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 399.47 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 119692273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).