1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole

C18H16F2N4O2S — CID 121150194

IUPAC1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H16F2N4O2S/c19-14-6-7-16(20)18(10-14)27(25,26)23-9-8-15(11-23)24-12-17(21-22-24)13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2
InChIKeyWFRZGQZUQJMQBS-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.86
Rot. Bonds4

About 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole

1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole (PubChem CID 121150194) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
PubChem CID121150194
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H16F2N4O2S/c19-14-6-7-16(20)18(10-14)27(25,26)23-9-8-15(11-23)24-12-17(21-22-24)13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2
InChIKeyWFRZGQZUQJMQBS-UHFFFAOYSA-N
XLogP2.86
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115
1-[(3S)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 99987062
4-phenyl-1-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987096
4-phenyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 86264972
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
1-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
CID 121150232
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121149899
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole?
The IUPAC name of 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole (CID 121150194) is 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole is O=S(=O)(c1cc(F)ccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole?
The InChIKey is WFRZGQZUQJMQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c19-14-6-7-16(20)18(10-14)27(25,26)23-9-8-15(11-23)24-12-17(21-22-24)13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2.
What are the key properties of 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole?
1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole has a molecular weight of 390.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole is sourced from PubChem (CID 121150194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).