1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine

C19H25N3O4S — CID 120763531

IUPAC1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-25-12-13-26-17-5-7-18(8-6-17)27(23,24)22-11-10-21-15-19(22)16-4-3-9-20-14-16/h3-9,14,19,21H,2,10-13,15H2,1H3
InChIKeyOOVZJSOXDJUUAK-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.83
Rot. Bonds8

About 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine

1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763531) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763531
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-25-12-13-26-17-5-7-18(8-6-17)27(23,24)22-11-10-21-15-19(22)16-4-3-9-20-14-16/h3-9,14,19,21H,2,10-13,15H2,1H3
InChIKeyOOVZJSOXDJUUAK-UHFFFAOYSA-N
XLogP1.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-(4-ethoxy-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764104
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine (CID 120763531) is 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine is CCOCCOc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is OOVZJSOXDJUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-2-25-12-13-26-17-5-7-18(8-6-17)27(23,24)22-11-10-21-15-19(22)16-4-3-9-20-14-16/h3-9,14,19,21H,2,10-13,15H2,1H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine?
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 391.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).