4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole

C15H17FN4O2S — CID 124725171

IUPAC4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESO=S(=O)(c1ccccc1F)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H17FN4O2S/c16-13-3-1-2-4-15(13)23(21,22)19-8-7-12(9-19)20-10-14(17-18-20)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1
InChIKeyDBJRBVKMMLCTLS-GFCCVEGCSA-N
MW336.39 g/mol
LogP1.93
Rot. Bonds4

About 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole

4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 124725171) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID124725171
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESO=S(=O)(c1ccccc1F)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H17FN4O2S/c16-13-3-1-2-4-15(13)23(21,22)19-8-7-12(9-19)20-10-14(17-18-20)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1
InChIKeyDBJRBVKMMLCTLS-GFCCVEGCSA-N
XLogP1.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190765
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 121150194
1-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021159
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
1-[(3R)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42348901
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole (CID 124725171) is 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole is O=S(=O)(c1ccccc1F)N1CC[C@@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is DBJRBVKMMLCTLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-13-3-1-2-4-15(13)23(21,22)19-8-7-12(9-19)20-10-14(17-18-20)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1.
What are the key properties of 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole?
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 336.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 124725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).