1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

C16H20FN3O2S — CID 121188717

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C16H20FN3O2S/c1-12-10-14(17)5-6-16(12)23(21,22)20-8-3-4-13(11-20)15-7-9-19(2)18-15/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyDWOYQDZGONVBRJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.44
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (PubChem CID 121188717) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
PubChem CID121188717
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C16H20FN3O2S/c1-12-10-14(17)5-6-16(12)23(21,22)20-8-3-4-13(11-20)15-7-9-19(2)18-15/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyDWOYQDZGONVBRJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (CID 121188717) is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is Cc1cc(F)ccc1S(=O)(=O)N1CCCC(c2ccn(C)n2)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is DWOYQDZGONVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-12-10-14(17)5-6-16(12)23(21,22)20-8-3-4-13(11-20)15-7-9-19(2)18-15/h5-7,9-10,13H,3-4,8,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 121188717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).