[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone

C21H26N2O6S — CID 30872670

IUPAC[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-14-15-29-18-6-8-20(9-7-18)30(25,26)23-12-10-22(11-13-23)21(24)17-4-3-5-19(16-17)28-2/h3-9,16H,10-15H2,1-2H3
InChIKeyIOFJZXDWQDJQKE-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.87
Rot. Bonds8

About [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 30872670) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID30872670
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-14-15-29-18-6-8-20(9-7-18)30(25,26)23-12-10-22(11-13-23)21(24)17-4-3-5-19(16-17)28-2/h3-9,16H,10-15H2,1-2H3
InChIKeyIOFJZXDWQDJQKE-UHFFFAOYSA-N
XLogP1.87
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 39634194
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2671434
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55905760
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
1,3-benzothiazol-6-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601291
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone (CID 30872670) is [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone is COCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is IOFJZXDWQDJQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-14-15-29-18-6-8-20(9-7-18)30(25,26)23-12-10-22(11-13-23)21(24)17-4-3-5-19(16-17)28-2/h3-9,16H,10-15H2,1-2H3.
What are the key properties of [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 434.51 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 30872670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).