2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one

C13H17FN2O3S — CID 81183690

IUPAC2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H17FN2O3S/c1-9(13(17)16-6-2-3-7-16)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyPAUNYANBOKWXQR-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one

2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81183690) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81183690
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H17FN2O3S/c1-9(13(17)16-6-2-3-7-16)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyPAUNYANBOKWXQR-UHFFFAOYSA-N
XLogP1.19
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 62113460
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-(2-amino-5-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 79144117
2-(2-amino-5-fluorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79148707
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43304287
2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one (CID 81183690) is 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PAUNYANBOKWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9(13(17)16-6-2-3-7-16)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8-9H,2-3,6-7,15H2,1H3.
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 300.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81183690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).