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

C15H19FN4O2S — CID 87052109

IUPAC1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2nncn2C)cc1F
InChIInChI=1S/C15H19FN4O2S/c1-11-6-7-12(9-13(11)16)23(21,22)20-8-4-3-5-14(20)15-18-17-10-19(15)2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyDBFUCRZNRJOFRP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.18
Rot. Bonds3

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

1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 87052109) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID87052109
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2nncn2C)cc1F
InChIInChI=1S/C15H19FN4O2S/c1-11-6-7-12(9-13(11)16)23(21,22)20-8-4-3-5-14(20)15-18-17-10-19(15)2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyDBFUCRZNRJOFRP-UHFFFAOYSA-N
XLogP2.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 87052109) is 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cc1ccc(S(=O)(=O)N2CCCCC2c2nncn2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DBFUCRZNRJOFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-11-6-7-12(9-13(11)16)23(21,22)20-8-4-3-5-14(20)15-18-17-10-19(15)2/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 338.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 87052109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).