1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

C15H18F2N4O2S — CID 91905017

IUPAC1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H18F2N4O2S/c1-2-15-19-18-10-21(15)13-3-5-20(6-4-13)24(22,23)14-8-11(16)7-12(17)9-14/h7-10,13H,2-6H2,1H3
InChIKeyVUFSEUHNSLKJTN-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.14
Rot. Bonds4

About 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91905017) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91905017
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H18F2N4O2S/c1-2-15-19-18-10-21(15)13-3-5-20(6-4-13)24(22,23)14-8-11(16)7-12(17)9-14/h7-10,13H,2-6H2,1H3
InChIKeyVUFSEUHNSLKJTN-UHFFFAOYSA-N
XLogP2.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (CID 91905017) is 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is CCc1nncn1C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is VUFSEUHNSLKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c1-2-15-19-18-10-21(15)13-3-5-20(6-4-13)24(22,23)14-8-11(16)7-12(17)9-14/h7-10,13H,2-6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 356.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91905017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).