1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C11H13ClFN3O3S — CID 43258624

IUPAC1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H13ClFN3O3S/c12-7-4-6(14)5-9(10(7)13)20(18,19)16-3-1-2-8(16)11(15)17/h4-5,8H,1-3,14H2,(H2,15,17)
InChIKeyDTOOVUYKFMSTRA-UHFFFAOYSA-N
MW321.76 g/mol
LogP0.70
Rot. Bonds3

About 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43258624) has the molecular formula C11H13ClFN3O3S and a molecular weight of 321.76 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43258624
Molecular FormulaC11H13ClFN3O3S
Molecular Weight321.76 g/mol
Exact Mass321.04
IUPAC Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H13ClFN3O3S/c12-7-4-6(14)5-9(10(7)13)20(18,19)16-3-1-2-8(16)11(15)17/h4-5,8H,1-3,14H2,(H2,15,17)
InChIKeyDTOOVUYKFMSTRA-UHFFFAOYSA-N
XLogP0.70
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 43258624) is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DTOOVUYKFMSTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3S/c12-7-4-6(14)5-9(10(7)13)20(18,19)16-3-1-2-8(16)11(15)17/h4-5,8H,1-3,14H2,(H2,15,17).
What are the key properties of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43258624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).