[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C19H22FN3O5S3 — CID 25437114

IUPAC[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22FN3O5S3/c20-15-5-7-16(8-6-15)30(25,26)23-9-1-3-17(23)19(24)21-10-12-22(13-11-21)31(27,28)18-4-2-14-29-18/h2,4-8,14,17H,1,3,9-13H2/t17-/m1/s1
InChIKeyAQARGTVFWDEGGE-QGZVFWFLSA-N
MW487.60 g/mol
LogP1.57
Rot. Bonds5

About [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 25437114) has the molecular formula C19H22FN3O5S3 and a molecular weight of 487.60 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID25437114
Molecular FormulaC19H22FN3O5S3
Molecular Weight487.60 g/mol
Exact Mass487.07
IUPAC Name[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22FN3O5S3/c20-15-5-7-16(8-6-15)30(25,26)23-9-1-3-17(23)19(24)21-10-12-22(13-11-21)31(27,28)18-4-2-14-29-18/h2,4-8,14,17H,1,3,9-13H2/t17-/m1/s1
InChIKeyAQARGTVFWDEGGE-QGZVFWFLSA-N
XLogP1.57
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 25437114) is [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is AQARGTVFWDEGGE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FN3O5S3/c20-15-5-7-16(8-6-15)30(25,26)23-9-1-3-17(23)19(24)21-10-12-22(13-11-21)31(27,28)18-4-2-14-29-18/h2,4-8,14,17H,1,3,9-13H2/t17-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 487.60 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 25437114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).