2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone

C19H21FN2O4S — CID 3674709

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-17-6-2-15(3-7-17)19(23)14-21-10-12-22(13-11-21)27(24,25)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3
InChIKeyLLPVOZQRDYMCAM-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 3674709) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID3674709
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-17-6-2-15(3-7-17)19(23)14-21-10-12-22(13-11-21)27(24,25)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3
InChIKeyLLPVOZQRDYMCAM-UHFFFAOYSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone (CID 3674709) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is LLPVOZQRDYMCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-17-6-2-15(3-7-17)19(23)14-21-10-12-22(13-11-21)27(24,25)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 392.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 3674709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).