(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone

C18H20N2O4S — CID 24517801

IUPAC(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)15-7-9-17(10-8-15)24-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyXXWURQBMPAOXFL-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.20
Rot. Bonds4

About (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone

(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone (PubChem CID 24517801) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
PubChem CID24517801
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)15-7-9-17(10-8-15)24-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyXXWURQBMPAOXFL-UHFFFAOYSA-N
XLogP2.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenoxyphenyl)methanone
CID 17491479
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone (CID 24517801) is (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is XXWURQBMPAOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)20-13-11-19(12-14-20)18(21)15-7-9-17(10-8-15)24-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 24517801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).