1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

C14H18F2N2O2S — CID 62275261

IUPAC1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h7-9,13-14,17H,1-6H2
InChIKeyLIGLNQHIROYCDD-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.87
Rot. Bonds3

About 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62275261) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62275261
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h7-9,13-14,17H,1-6H2
InChIKeyLIGLNQHIROYCDD-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275091
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 103100390
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684
N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256423
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
N,N-dipropyl-2-pyrrolidin-2-ylpyrrolidine-1-sulfonamide
CID 62273382
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
3-[[(3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]sulfonyl]-5-fluorobenzoic acid
CID 154755365
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (CID 62275261) is 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC1C1CCCN1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is LIGLNQHIROYCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h7-9,13-14,17H,1-6H2.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 316.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62275261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).