3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

C13H19FN2O3S — CID 62469324

IUPAC3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESNc1cc(S(=O)(=O)N2CCCC2CCCO)ccc1F
InChIInChI=1S/C13H19FN2O3S/c14-12-6-5-11(9-13(12)15)20(18,19)16-7-1-3-10(16)4-2-8-17/h5-6,9-10,17H,1-4,7-8,15H2
InChIKeyYDPCEWGGENKJCV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.33
Rot. Bonds5

About 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (PubChem CID 62469324) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
PubChem CID62469324
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESNc1cc(S(=O)(=O)N2CCCC2CCCO)ccc1F
InChIInChI=1S/C13H19FN2O3S/c14-12-6-5-11(9-13(12)15)20(18,19)16-7-1-3-10(16)4-2-8-17/h5-6,9-10,17H,1-4,7-8,15H2
InChIKeyYDPCEWGGENKJCV-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
3-[1-(3-amino-5-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469506
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62479579
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 62479576
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (CID 62469324) is 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is Nc1cc(S(=O)(=O)N2CCCC2CCCO)ccc1F.
What is the InChIKey of 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is YDPCEWGGENKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-12-6-5-11(9-13(12)15)20(18,19)16-7-1-3-10(16)4-2-8-17/h5-6,9-10,17H,1-4,7-8,15H2.
What are the key properties of 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 302.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).