1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone

C19H21FN2O3S — CID 6459911

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-15-2-8-18(9-3-15)26(24,25)14-19(23)22-12-10-21(11-13-22)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3
InChIKeyFRDKWKIMMWBDGH-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone (PubChem CID 6459911) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
PubChem CID6459911
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-15-2-8-18(9-3-15)26(24,25)14-19(23)22-12-10-21(11-13-22)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3
InChIKeyFRDKWKIMMWBDGH-UHFFFAOYSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 5036336
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4280734
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)sulfonylpyridazin-3-one
CID 53073512
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3895993
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4101950
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone (CID 6459911) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is FRDKWKIMMWBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-15-2-8-18(9-3-15)26(24,25)14-19(23)22-12-10-21(11-13-22)17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 376.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 6459911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).