4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one

C16H16FN3O3S — CID 126851704

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C16H16FN3O3S/c1-12-9-13(17)4-5-15(12)24(22,23)19-7-8-20(16(21)11-19)14-3-2-6-18-10-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBLEVAZAWJHGOHZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.57
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one

4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126851704) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
PubChem CID126851704
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C16H16FN3O3S/c1-12-9-13(17)4-5-15(12)24(22,23)19-7-8-20(16(21)11-19)14-3-2-6-18-10-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBLEVAZAWJHGOHZ-UHFFFAOYSA-N
XLogP1.57
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
CID 126855640
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 119103088
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
1-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 30668162
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
CID 59636222
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one (CID 126851704) is 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is BLEVAZAWJHGOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-12-9-13(17)4-5-15(12)24(22,23)19-7-8-20(16(21)11-19)14-3-2-6-18-10-14/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 349.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126851704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).