(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

C9H11F2N3O4S — CID 154765595

IUPAC(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)O)c1
InChIInChI=1S/C9H11F2N3O4S/c1-13-3-7(12-5-13)19(17,18)14-4-9(10,11)2-6(14)8(15)16/h3,5-6H,2,4H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyFYVPHIGFTCIOBL-ZCFIWIBFSA-N
MW295.27 g/mol
LogP-0.10
Rot. Bonds3

About (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 154765595) has the molecular formula C9H11F2N3O4S and a molecular weight of 295.27 g/mol. Its IUPAC name is (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID154765595
Molecular FormulaC9H11F2N3O4S
Molecular Weight295.27 g/mol
Exact Mass295.04
IUPAC Name(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)O)c1
InChIInChI=1S/C9H11F2N3O4S/c1-13-3-7(12-5-13)19(17,18)14-4-9(10,11)2-6(14)8(15)16/h3,5-6H,2,4H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyFYVPHIGFTCIOBL-ZCFIWIBFSA-N
XLogP-0.10
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 154765595) is (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is Cn1cnc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is FYVPHIGFTCIOBL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F2N3O4S/c1-13-3-7(12-5-13)19(17,18)14-4-9(10,11)2-6(14)8(15)16/h3,5-6H,2,4H2,1H3,(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).