1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone

C22H27N3O6S2 — CID 644974

IUPAC1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-18(26)19-5-7-20(8-6-19)23-9-11-24(12-10-23)32(27,28)21-3-2-4-22(17-21)33(29,30)25-13-15-31-16-14-25/h2-8,17H,9-16H2,1H3
InChIKeyUZYRITPJTJTRGM-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.42
Rot. Bonds6

About 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone

1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone (PubChem CID 644974) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
PubChem CID644974
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC Name1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-18(26)19-5-7-20(8-6-19)23-9-11-24(12-10-23)32(27,28)21-3-2-4-22(17-21)33(29,30)25-13-15-31-16-14-25/h2-8,17H,9-16H2,1H3
InChIKeyUZYRITPJTJTRGM-UHFFFAOYSA-N
XLogP1.42
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone (CID 644974) is 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The InChIKey is UZYRITPJTJTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-18(26)19-5-7-20(8-6-19)23-9-11-24(12-10-23)32(27,28)21-3-2-4-22(17-21)33(29,30)25-13-15-31-16-14-25/h2-8,17H,9-16H2,1H3.
What are the key properties of 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone has a molecular weight of 493.61 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 644974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).