4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one

C14H20N2O5S — CID 146137366

IUPAC4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCOc1ccc(O)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c1
InChIInChI=1S/C14H20N2O5S/c1-10(2)16-7-6-15(9-14(16)18)22(19,20)13-8-11(21-3)4-5-12(13)17/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyFFILPUYKLLIXHI-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.64
Rot. Bonds4

About 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one

4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one (PubChem CID 146137366) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
PubChem CID146137366
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCOc1ccc(O)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c1
InChIInChI=1S/C14H20N2O5S/c1-10(2)16-7-6-15(9-14(16)18)22(19,20)13-8-11(21-3)4-5-12(13)17/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyFFILPUYKLLIXHI-UHFFFAOYSA-N
XLogP0.64
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
CID 4741945
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750517
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
5-(4-methoxy-2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872816
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959
1-[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974856

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one (CID 146137366) is 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one is COc1ccc(O)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c1.
What is the InChIKey of 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is FFILPUYKLLIXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10(2)16-7-6-15(9-14(16)18)22(19,20)13-8-11(21-3)4-5-12(13)17/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 328.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methoxyphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 146137366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).