1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone

C19H22N2O6S2 — CID 4844704

IUPAC1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-15(22)16-3-7-18(8-4-16)28(23,24)20-11-13-21(14-12-20)29(25,26)19-9-5-17(27-2)6-10-19/h3-10H,11-14H2,1-2H3
InChIKeyVJYUWJRDNITVNZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.59
Rot. Bonds6

About 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 4844704) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID4844704
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-15(22)16-3-7-18(8-4-16)28(23,24)20-11-13-21(14-12-20)29(25,26)19-9-5-17(27-2)6-10-19/h3-10H,11-14H2,1-2H3
InChIKeyVJYUWJRDNITVNZ-UHFFFAOYSA-N
XLogP1.59
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420
1-[3-fluoro-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 26541806
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567472
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone (CID 4844704) is 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is VJYUWJRDNITVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-15(22)16-3-7-18(8-4-16)28(23,24)20-11-13-21(14-12-20)29(25,26)19-9-5-17(27-2)6-10-19/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 4844704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).