(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C18H19FN2O3S — CID 1148014

IUPAC(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-20(10-12-21)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3
InChIKeyUKVXLVGBQKDRGU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.28
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1148014) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1148014
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-20(10-12-21)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3
InChIKeyUKVXLVGBQKDRGU-UHFFFAOYSA-N
XLogP2.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.28
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-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 1148014) is (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UKVXLVGBQKDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-20(10-12-21)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1148014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).