1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one

C19H19FN2O3S — CID 5052312

IUPAC1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN2O3S/c20-17-7-9-18(10-8-17)26(24,25)22-14-12-21(13-15-22)19(23)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyNNXVAJWZJWSQHU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 5052312) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID5052312
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN2O3S/c20-17-7-9-18(10-8-17)26(24,25)22-14-12-21(13-15-22)19(23)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyNNXVAJWZJWSQHU-UHFFFAOYSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one (CID 5052312) is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is NNXVAJWZJWSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-17-7-9-18(10-8-17)26(24,25)22-14-12-21(13-15-22)19(23)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 374.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5052312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).