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

C18H19FN2O3S — CID 7769572

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

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

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 7769572) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID7769572
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-14-5-7-15(8-6-14)18(22)20-9-11-21(12-10-20)25(23,24)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3
InChIKeySPVLTORIHCEBAC-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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Related Compounds

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24981880
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 39636324
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9369945
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929837
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 24584236
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4805711

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone (CID 7769572) is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is SPVLTORIHCEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-14-5-7-15(8-6-14)18(22)20-9-11-21(12-10-20)25(23,24)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)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 [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 7769572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).