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

C15H18ClFN4O2S — CID 91905012

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN4O2S/c1-2-15-19-18-10-21(15)11-5-7-20(8-6-11)24(22,23)12-3-4-14(17)13(16)9-12/h3-4,9-11H,2,5-8H2,1H3
InChIKeyHOJXMZYUDPCNHX-UHFFFAOYSA-N
MW372.85 g/mol
LogP2.66
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91905012) has the molecular formula C15H18ClFN4O2S and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91905012
Molecular FormulaC15H18ClFN4O2S
Molecular Weight372.85 g/mol
Exact Mass372.08
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN4O2S/c1-2-15-19-18-10-21(15)11-5-7-20(8-6-11)24(22,23)12-3-4-14(17)13(16)9-12/h3-4,9-11H,2,5-8H2,1H3
InChIKeyHOJXMZYUDPCNHX-UHFFFAOYSA-N
XLogP2.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (CID 91905012) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is CCc1nncn1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is HOJXMZYUDPCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2S/c1-2-15-19-18-10-21(15)11-5-7-20(8-6-11)24(22,23)12-3-4-14(17)13(16)9-12/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 372.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).