1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine

C11H13F2NO4S2 — CID 71805541

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyYGWYBRWQODTSCB-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.77
Rot. Bonds3

About 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine

1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine (PubChem CID 71805541) has the molecular formula C11H13F2NO4S2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
PubChem CID71805541
Molecular FormulaC11H13F2NO4S2
Molecular Weight325.36 g/mol
Exact Mass325.03
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyYGWYBRWQODTSCB-UHFFFAOYSA-N
XLogP0.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine (CID 71805541) is 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The InChIKey is YGWYBRWQODTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine has a molecular weight of 325.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine is sourced from PubChem (CID 71805541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).