[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C16H17FN2O4S — CID 2238809

IUPAC[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJAKXATYCTBXDEU-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.87
Rot. Bonds3

About [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2238809) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2238809
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJAKXATYCTBXDEU-UHFFFAOYSA-N
XLogP1.87
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 2238809) is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JAKXATYCTBXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-12-11-13(4-5-14(12)17)24(21,22)19-8-6-18(7-9-19)16(20)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2238809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).