1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

C18H23N3O3S — CID 24982959

IUPAC1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H23N3O3S/c1-14-10-15(2)12-16(11-14)24-18-5-4-17(13-19-18)25(22,23)21-8-6-20(3)7-9-21/h4-5,10-13H,6-9H2,1-3H3
InChIKeyNXPPJHXTEOFTBN-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.43
Rot. Bonds4

About 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 24982959) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID24982959
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H23N3O3S/c1-14-10-15(2)12-16(11-14)24-18-5-4-17(13-19-18)25(22,23)21-8-6-20(3)7-9-21/h4-5,10-13H,6-9H2,1-3H3
InChIKeyNXPPJHXTEOFTBN-UHFFFAOYSA-N
XLogP2.43
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 24982959) is 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1.
What is the InChIKey of 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is NXPPJHXTEOFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-10-15(2)12-16(11-14)24-18-5-4-17(13-19-18)25(22,23)21-8-6-20(3)7-9-21/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 361.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 24982959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).