(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine

C10H11F2N3O4S — CID 115301816

IUPAC(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2F)C1
InChIInChI=1S/C10H11F2N3O4S/c11-7-3-8(12)10(4-9(7)15(16)17)20(18,19)14-2-1-6(13)5-14/h3-4,6H,1-2,5,13H2/t6-/m1/s1
InChIKeyGDVKSDAXLFFTEU-ZCFIWIBFSA-N
MW307.28 g/mol
LogP0.59
Rot. Bonds3

About (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine

(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 115301816) has the molecular formula C10H11F2N3O4S and a molecular weight of 307.28 g/mol. Its IUPAC name is (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
PubChem CID115301816
Molecular FormulaC10H11F2N3O4S
Molecular Weight307.28 g/mol
Exact Mass307.04
IUPAC Name(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2F)C1
InChIInChI=1S/C10H11F2N3O4S/c11-7-3-8(12)10(4-9(7)15(16)17)20(18,19)14-2-1-6(13)5-14/h3-4,6H,1-2,5,13H2/t6-/m1/s1
InChIKeyGDVKSDAXLFFTEU-ZCFIWIBFSA-N
XLogP0.59
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine (CID 115301816) is (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2F)C1.
What is the InChIKey of (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is GDVKSDAXLFFTEU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2N3O4S/c11-7-3-8(12)10(4-9(7)15(16)17)20(18,19)14-2-1-6(13)5-14/h3-4,6H,1-2,5,13H2/t6-/m1/s1.
What are the key properties of (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 307.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115301816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).