1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

C19H19F3N2O3S — CID 9371091

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-15-6-7-17(22)18(13-15)28(26,27)24-11-9-23(10-12-24)19(25)8-5-14-3-1-2-4-16(14)21/h1-4,6-7,13H,5,8-12H2
InChIKeySZZNWVDVDMJCAP-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 9371091) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID9371091
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-15-6-7-17(22)18(13-15)28(26,27)24-11-9-23(10-12-24)19(25)8-5-14-3-1-2-4-16(14)21/h1-4,6-7,13H,5,8-12H2
InChIKeySZZNWVDVDMJCAP-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)-1-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603278
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 9371028
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429270
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513
N-[4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 26418691
3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666015
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 25497115
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 9371091) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is SZZNWVDVDMJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-15-6-7-17(22)18(13-15)28(26,27)24-11-9-23(10-12-24)19(25)8-5-14-3-1-2-4-16(14)21/h1-4,6-7,13H,5,8-12H2.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 412.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 9371091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).