1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine

C16H20FN3O3S — CID 46981204

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)23-15-6-4-3-5-14(15)17/h3-6,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyLSJGWMPNBWLCRK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.40
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine (PubChem CID 46981204) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine
PubChem CID46981204
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)23-15-6-4-3-5-14(15)17/h3-6,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyLSJGWMPNBWLCRK-UHFFFAOYSA-N
XLogP2.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine (CID 46981204) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine?
The InChIKey is LSJGWMPNBWLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)23-15-6-4-3-5-14(15)17/h3-6,13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine has a molecular weight of 353.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine is sourced from PubChem (CID 46981204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).