1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

C18H23N3O3S — CID 24979755

IUPAC1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H23N3O3S/c1-3-15-6-4-5-7-17(15)24-18-9-8-16(14-19-18)25(22,23)21-12-10-20(2)11-13-21/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGATFJDFTYDVMDP-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.37
Rot. Bonds5

About 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 24979755) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID24979755
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H23N3O3S/c1-3-15-6-4-5-7-17(15)24-18-9-8-16(14-19-18)25(22,23)21-12-10-20(2)11-13-21/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGATFJDFTYDVMDP-UHFFFAOYSA-N
XLogP2.37
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Cyanophenoxy)-3-pyridinesulfonamide
CID 46703769
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
5-ethoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 977109
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
4-Ethoxy-2,3-dimethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 850049
6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2112842
N1-[6-(3-pyridyloxy)-3-pyridyl]-4-methylbenzene-1-sulfonamide
CID 2800181
1-(6-Methoxypyridin-3-yl)sulfonyl-4-methylpiperazine
CID 2991320
N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylpyridine-2-sulfonamide
CID 60201924

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 24979755) is 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is CCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is GATFJDFTYDVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-15-6-4-5-7-17(15)24-18-9-8-16(14-19-18)25(22,23)21-12-10-20(2)11-13-21/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 361.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 24979755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).