3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine

C14H17F2NO3S — CID 121197755

IUPAC3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H17F2NO3S/c15-11-3-4-14(13(16)7-11)21(18,19)17-6-5-12(8-17)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2
InChIKeyOFYMRCVJYBORRS-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.15
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine

3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine (PubChem CID 121197755) has the molecular formula C14H17F2NO3S and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
PubChem CID121197755
Molecular FormulaC14H17F2NO3S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H17F2NO3S/c15-11-3-4-14(13(16)7-11)21(18,19)17-6-5-12(8-17)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2
InChIKeyOFYMRCVJYBORRS-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine (CID 121197755) is 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1F)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The InChIKey is OFYMRCVJYBORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3S/c15-11-3-4-14(13(16)7-11)21(18,19)17-6-5-12(8-17)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2.
What are the key properties of 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine has a molecular weight of 317.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 121197755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).