1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C16H18FN3O2S — CID 6472019

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F
InChIInChI=1S/C16H18FN3O2S/c1-13-12-14(5-6-15(13)17)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyAACALNSOMDQMRY-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.04
Rot. Bonds3

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

1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 6472019) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID6472019
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F
InChIInChI=1S/C16H18FN3O2S/c1-13-12-14(5-6-15(13)17)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
InChIKeyAACALNSOMDQMRY-UHFFFAOYSA-N
XLogP2.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
Arylsulfonylpiperazine, 10
CID 23648664
Arylsulfonylpiperazine, 38
CID 23648694
Arylsulfonylpiperazine, 18
CID 24901355
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
Arylsulfonylpiperazine, 16
CID 44237021

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 6472019) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is AACALNSOMDQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-13-12-14(5-6-15(13)17)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 335.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 6472019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).