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

C13H14ClFN4O2S — CID 52813380

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C13H14ClFN4O2S/c14-12-7-11(1-2-13(12)15)22(20,21)18-5-3-10(4-6-18)19-9-16-8-17-19/h1-2,7-10H,3-6H2
InChIKeyIPFFHBLZLHGHNR-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.10
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 52813380) has the molecular formula C13H14ClFN4O2S and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID52813380
Molecular FormulaC13H14ClFN4O2S
Molecular Weight344.80 g/mol
Exact Mass344.05
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C13H14ClFN4O2S/c14-12-7-11(1-2-13(12)15)22(20,21)18-5-3-10(4-6-18)19-9-16-8-17-19/h1-2,7-10H,3-6H2
InChIKeyIPFFHBLZLHGHNR-UHFFFAOYSA-N
XLogP2.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.10
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-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine (CID 52813380) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(n2cncn2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is IPFFHBLZLHGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2S/c14-12-7-11(1-2-13(12)15)22(20,21)18-5-3-10(4-6-18)19-9-16-8-17-19/h1-2,7-10H,3-6H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 344.80 g/mol, XLogP of 2.10, 3 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-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 52813380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).