(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide

C12H18FN3O3S — CID 58598223

IUPAC(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C12H18FN3O3S/c1-15(2)20(17,18)16-4-3-11(8-16)19-12-6-9(13)5-10(14)7-12/h5-7,11H,3-4,8,14H2,1-2H3/t11-/m1/s1
InChIKeyUOXDNKWDJKPRSM-LLVKDONJSA-N
MW303.36 g/mol
LogP0.67
Rot. Bonds4

About (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide

(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 58598223) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID58598223
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C12H18FN3O3S/c1-15(2)20(17,18)16-4-3-11(8-16)19-12-6-9(13)5-10(14)7-12/h5-7,11H,3-4,8,14H2,1-2H3/t11-/m1/s1
InChIKeyUOXDNKWDJKPRSM-LLVKDONJSA-N
XLogP0.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 58598223) is (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(N)cc(F)c2)C1.
What is the InChIKey of (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is UOXDNKWDJKPRSM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-15(2)20(17,18)16-4-3-11(8-16)19-12-6-9(13)5-10(14)7-12/h5-7,11H,3-4,8,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide?
(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 303.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 58598223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).