1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine

C13H15FN4O2S — CID 121151444

IUPAC1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H15FN4O2S/c14-11-2-1-3-13(10-11)21(19,20)17-7-4-12(5-8-17)18-9-6-15-16-18/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeyORVXXVKVICOOFI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.44
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine (PubChem CID 121151444) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
PubChem CID121151444
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H15FN4O2S/c14-11-2-1-3-13(10-11)21(19,20)17-7-4-12(5-8-17)18-9-6-15-16-18/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeyORVXXVKVICOOFI-UHFFFAOYSA-N
XLogP1.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 121150849
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]triazole
CID 121154928
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
3-fluoro-N-[3-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 121150864
1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
1-[1-[(3-fluorophenyl)methylsulfonyl]azetidin-3-yl]triazole
CID 121154926
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine (CID 121151444) is 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine is O=S(=O)(c1cccc(F)c1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The InChIKey is ORVXXVKVICOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-11-2-1-3-13(10-11)21(19,20)17-7-4-12(5-8-17)18-9-6-15-16-18/h1-3,6,9-10,12H,4-5,7-8H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine?
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine has a molecular weight of 310.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121151444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).