[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C18H20N2O4S — CID 1148025

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)25(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyXPBXSOFVLFPGET-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.84
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1148025) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1148025
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)25(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyXPBXSOFVLFPGET-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(aminomethyl)phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265565
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542
[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2671434
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 1148025) is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XPBXSOFVLFPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)25(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1148025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).