4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol

C20H26N2O6S — CID 68846257

IUPAC4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(Oc3ccc(O)cc3)C(C)O)CC2)cc1
InChIInChI=1S/C20H26N2O6S/c1-15(23)20(28-18-5-3-16(24)4-6-18)21-11-13-22(14-12-21)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15,20,23-24H,11-14H2,1-2H3
InChIKeyDUYATXZEJZGAMI-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.49
Rot. Bonds7

About 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol

4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol (PubChem CID 68846257) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol
PubChem CID68846257
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(Oc3ccc(O)cc3)C(C)O)CC2)cc1
InChIInChI=1S/C20H26N2O6S/c1-15(23)20(28-18-5-3-16(24)4-6-18)21-11-13-22(14-12-21)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15,20,23-24H,11-14H2,1-2H3
InChIKeyDUYATXZEJZGAMI-UHFFFAOYSA-N
XLogP1.49
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]phenol
CID 4298033
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8746260
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol?
The IUPAC name of 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol (CID 68846257) is 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol is COc1ccc(S(=O)(=O)N2CCN(C(Oc3ccc(O)cc3)C(C)O)CC2)cc1.
What is the InChIKey of 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol?
The InChIKey is DUYATXZEJZGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-15(23)20(28-18-5-3-16(24)4-6-18)21-11-13-22(14-12-21)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15,20,23-24H,11-14H2,1-2H3.
What are the key properties of 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol?
4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol has a molecular weight of 422.50 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol is sourced from PubChem (CID 68846257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).