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

C14H16F2N4O2S — CID 91914714

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H16F2N4O2S/c1-10-18-17-9-20(10)11-4-6-19(7-5-11)23(21,22)12-2-3-13(15)14(16)8-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyVDDBPHYMBZBIAV-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.89
Rot. Bonds3

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

1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91914714) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91914714
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H16F2N4O2S/c1-10-18-17-9-20(10)11-4-6-19(7-5-11)23(21,22)12-2-3-13(15)14(16)8-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyVDDBPHYMBZBIAV-UHFFFAOYSA-N
XLogP1.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (CID 91914714) is 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is Cc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is VDDBPHYMBZBIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-10-18-17-9-20(10)11-4-6-19(7-5-11)23(21,22)12-2-3-13(15)14(16)8-12/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 342.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91914714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).