3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H21FN2O3S — CID 7177743

IUPAC3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-8-18(9-7-16)26(24,25)15-10-19(23)22-13-11-21(12-14-22)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyFUNDOCMEYWHNTG-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 7177743) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID7177743
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-8-18(9-7-16)26(24,25)15-10-19(23)22-13-11-21(12-14-22)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyFUNDOCMEYWHNTG-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
1,3-dimethyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonylbenzimidazol-2-one
CID 46377655
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
CID 110342628
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
CID 110294965
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4280734
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2228001
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 53121941
3-(benzenesulfonyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41115492
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4101950

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 7177743) is 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is FUNDOCMEYWHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-6-8-18(9-7-16)26(24,25)15-10-19(23)22-13-11-21(12-14-22)17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 376.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 7177743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).