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

C17H22N4O3S — CID 121190765

IUPAC4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H22N4O3S/c1-2-24-16-5-3-4-6-17(16)25(22,23)20-10-9-14(11-20)21-12-15(18-19-21)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3
InChIKeyIZXBLKQNIPAJLN-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.19
Rot. Bonds6

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

4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 121190765) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID121190765
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H22N4O3S/c1-2-24-16-5-3-4-6-17(16)25(22,23)20-10-9-14(11-20)21-12-15(18-19-21)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3
InChIKeyIZXBLKQNIPAJLN-UHFFFAOYSA-N
XLogP2.19
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
1-[(3S)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 99987062
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
1-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021159
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
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-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (CID 121190765) is 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is CCOc1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is IZXBLKQNIPAJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-24-16-5-3-4-6-17(16)25(22,23)20-10-9-14(11-20)21-12-15(18-19-21)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3.
What are the key properties of 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 362.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 121190765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).