[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C21H24FN3O3S — CID 1297801

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O3S/c22-19-5-1-2-6-20(19)23-13-15-24(16-14-23)21(26)17-7-9-18(10-8-17)29(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-16H2
InChIKeyICOYENDSFPJMSB-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.57
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 1297801) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID1297801
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O3S/c22-19-5-1-2-6-20(19)23-13-15-24(16-14-23)21(26)17-7-9-18(10-8-17)29(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-16H2
InChIKeyICOYENDSFPJMSB-UHFFFAOYSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 1297801) is [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is ICOYENDSFPJMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-19-5-1-2-6-20(19)23-13-15-24(16-14-23)21(26)17-7-9-18(10-8-17)29(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-16H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 417.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1297801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).