(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide

C13H15F2N3O4S — CID 175925279

IUPAC(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cncc(C(=O)N2CC(C(F)F)C[C@@H]2C(N)=O)c1
InChIInChI=1S/C13H15F2N3O4S/c1-23(21,22)9-2-7(4-17-5-9)13(20)18-6-8(11(14)15)3-10(18)12(16)19/h2,4-5,8,10-11H,3,6H2,1H3,(H2,16,19)/t8?,10-/m1/s1
InChIKeyBMXNWHLIJPJCDA-LHIURRSHSA-N
MW347.34 g/mol
LogP0.07
Rot. Bonds4

About (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide

(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 175925279) has the molecular formula C13H15F2N3O4S and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID175925279
Molecular FormulaC13H15F2N3O4S
Molecular Weight347.34 g/mol
Exact Mass347.08
IUPAC Name(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cncc(C(=O)N2CC(C(F)F)C[C@@H]2C(N)=O)c1
InChIInChI=1S/C13H15F2N3O4S/c1-23(21,22)9-2-7(4-17-5-9)13(20)18-6-8(11(14)15)3-10(18)12(16)19/h2,4-5,8,10-11H,3,6H2,1H3,(H2,16,19)/t8?,10-/m1/s1
InChIKeyBMXNWHLIJPJCDA-LHIURRSHSA-N
XLogP0.07
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 175925279) is (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide is CS(=O)(=O)c1cncc(C(=O)N2CC(C(F)F)C[C@@H]2C(N)=O)c1.
What is the InChIKey of (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BMXNWHLIJPJCDA-LHIURRSHSA-N. The full InChI is InChI=1S/C13H15F2N3O4S/c1-23(21,22)9-2-7(4-17-5-9)13(20)18-6-8(11(14)15)3-10(18)12(16)19/h2,4-5,8,10-11H,3,6H2,1H3,(H2,16,19)/t8?,10-/m1/s1.
What are the key properties of (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175925279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).