[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone

C18H21N3O5S — CID 110364631

IUPAC[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)c(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-15-5-6-17(16(12-15)26-2)27(23,24)21-10-8-20(9-11-21)18(22)14-4-3-7-19-13-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRRRKADISAATTCG-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.25
Rot. Bonds5

About [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone

[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110364631) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID110364631
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)c(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-15-5-6-17(16(12-15)26-2)27(23,24)21-10-8-20(9-11-21)18(22)14-4-3-7-19-13-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRRRKADISAATTCG-UHFFFAOYSA-N
XLogP1.25
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521198
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051902
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328604
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
[4-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23964874

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 110364631) is [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RRRKADISAATTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-15-5-6-17(16(12-15)26-2)27(23,24)21-10-8-20(9-11-21)18(22)14-4-3-7-19-13-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 391.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110364631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).