[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

C18H19FN2O4S — CID 8838548

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1O
InChIInChI=1S/C18H19FN2O4S/c1-13-5-4-6-14(17(13)22)18(23)20-9-11-21(12-10-20)26(24,25)16-8-3-2-7-15(16)19/h2-8,22H,9-12H2,1H3
InChIKeyGVRITJXUNBRYKC-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.99
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 8838548) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
PubChem CID8838548
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1O
InChIInChI=1S/C18H19FN2O4S/c1-13-5-4-6-14(17(13)22)18(23)20-9-11-21(12-10-20)26(24,25)16-8-3-2-7-15(16)19/h2-8,22H,9-12H2,1H3
InChIKeyGVRITJXUNBRYKC-UHFFFAOYSA-N
XLogP1.99
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (CID 8838548) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1O.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is GVRITJXUNBRYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13-5-4-6-14(17(13)22)18(23)20-9-11-21(12-10-20)26(24,25)16-8-3-2-7-15(16)19/h2-8,22H,9-12H2,1H3.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 378.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 8838548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).