1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine

C14H17FN4O2S — CID 91905055

IUPAC1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H17FN4O2S/c1-11-17-16-10-19(11)12-6-8-18(9-7-12)22(20,21)14-5-3-2-4-13(14)15/h2-5,10,12H,6-9H2,1H3
InChIKeyQUORGBZNHRXQMO-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine

1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91905055) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91905055
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H17FN4O2S/c1-11-17-16-10-19(11)12-6-8-18(9-7-12)22(20,21)14-5-3-2-4-13(14)15/h2-5,10,12H,6-9H2,1H3
InChIKeyQUORGBZNHRXQMO-UHFFFAOYSA-N
XLogP1.75
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (CID 91905055) is 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is Cc1nncn1C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is QUORGBZNHRXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-11-17-16-10-19(11)12-6-8-18(9-7-12)22(20,21)14-5-3-2-4-13(14)15/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 324.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).