hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride

C24H34ClN3O6S — CID 2998562

IUPAChydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.[Cl-].[H+]
InChIInChI=1S/C24H33N3O6S.ClH/c1-31-24-5-3-2-4-23(24)26-12-10-25(11-13-26)18-20(28)19-33-21-6-8-22(9-7-21)34(29,30)27-14-16-32-17-15-27;/h2-9,20,28H,10-19H2,1H3;1H
InChIKeyMBMFYLAFTURXQP-UHFFFAOYSA-N
MW528.07 g/mol
LogP-1.61
Rot. Bonds9

About hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride

hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride (PubChem CID 2998562) has the molecular formula C24H34ClN3O6S and a molecular weight of 528.07 g/mol. Its IUPAC name is hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride.

Molecular Properties

Compound Namehydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
PubChem CID2998562
Molecular FormulaC24H34ClN3O6S
Molecular Weight528.07 g/mol
Exact Mass527.19
IUPAC Namehydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.[Cl-].[H+]
InChIInChI=1S/C24H33N3O6S.ClH/c1-31-24-5-3-2-4-23(24)26-12-10-25(11-13-26)18-20(28)19-33-21-6-8-22(9-7-21)34(29,30)27-14-16-32-17-15-27;/h2-9,20,28H,10-19H2,1H3;1H
InChIKeyMBMFYLAFTURXQP-UHFFFAOYSA-N
XLogP-1.61
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.07
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 30729738
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387924
(2S)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387923
1-(4-tert-butylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16807037
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2331090
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
methyl N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504727
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1324667

Frequently Asked Questions

What is the IUPAC name of hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride?
The IUPAC name of hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride (CID 2998562) is hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride.
What is the SMILES notation for hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride?
The canonical SMILES for hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride is COc1ccccc1N1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.[Cl-].[H+].
What is the InChIKey of hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride?
The InChIKey is MBMFYLAFTURXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S.ClH/c1-31-24-5-3-2-4-23(24)26-12-10-25(11-13-26)18-20(28)19-33-21-6-8-22(9-7-21)34(29,30)27-14-16-32-17-15-27;/h2-9,20,28H,10-19H2,1H3;1H.
What are the key properties of hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride?
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride has a molecular weight of 528.07 g/mol, XLogP of -1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride is sourced from PubChem (CID 2998562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).