(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C20H23FN2O3S — CID 3237315

IUPAC(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-15(2)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)20(24)17-4-3-5-18(21)14-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyPAYXZGZVZQRNNU-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.10
Rot. Bonds4

About (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 3237315) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID3237315
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-15(2)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)20(24)17-4-3-5-18(21)14-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyPAYXZGZVZQRNNU-UHFFFAOYSA-N
XLogP3.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 3237315) is (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PAYXZGZVZQRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15(2)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)20(24)17-4-3-5-18(21)14-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 3237315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).