1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one

C20H23FN2O4S — CID 8838555

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O4S/c1-16-6-2-4-8-18(16)27-15-10-20(24)22-11-13-23(14-12-22)28(25,26)19-9-5-3-7-17(19)21/h2-9H,10-15H2,1H3
InChIKeyHHQDVNNTOXFLRT-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one (PubChem CID 8838555) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
PubChem CID8838555
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O4S/c1-16-6-2-4-8-18(16)27-15-10-20(24)22-11-13-23(14-12-22)28(25,26)19-9-5-3-7-17(19)21/h2-9H,10-15H2,1H3
InChIKeyHHQDVNNTOXFLRT-UHFFFAOYSA-N
XLogP2.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 2576575
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
4-(3-Methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4803230
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 4847261
(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 6215456
3-(2,5-Dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7921207
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 9369504
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9496035
1-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 16229359
1-[4-(Benzenesulfonyl)piperazin-1-yl]-4-(4-chloro-2-methylphenoxy)butan-1-one
CID 17536857
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 24687869
3-(2,5-Dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 24978752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one (CID 8838555) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one is Cc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The InChIKey is HHQDVNNTOXFLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-16-6-2-4-8-18(16)27-15-10-20(24)22-11-13-23(14-12-22)28(25,26)19-9-5-3-7-17(19)21/h2-9H,10-15H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one has a molecular weight of 406.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 8838555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).