1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

C20H24FN3O6S3 — CID 25162748

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O6S3/c21-17-3-1-2-4-18(17)32(26,27)23-9-7-22(8-10-23)19(25)15-16-5-6-20(31-16)33(28,29)24-11-13-30-14-12-24/h1-6H,7-15H2
InChIKeyGIIYDTJHSVHXIF-UHFFFAOYSA-N
MW517.63 g/mol
LogP0.98
Rot. Bonds6

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 25162748) has the molecular formula C20H24FN3O6S3 and a molecular weight of 517.63 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
PubChem CID25162748
Molecular FormulaC20H24FN3O6S3
Molecular Weight517.63 g/mol
Exact Mass517.08
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O6S3/c21-17-3-1-2-4-18(17)32(26,27)23-9-7-22(8-10-23)19(25)15-16-5-6-20(31-16)33(28,29)24-11-13-30-14-12-24/h1-6H,7-15H2
InChIKeyGIIYDTJHSVHXIF-UHFFFAOYSA-N
XLogP0.98
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (CID 25162748) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is GIIYDTJHSVHXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O6S3/c21-17-3-1-2-4-18(17)32(26,27)23-9-7-22(8-10-23)19(25)15-16-5-6-20(31-16)33(28,29)24-11-13-30-14-12-24/h1-6H,7-15H2.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 517.63 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 25162748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).