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

C12H17FN2O3S — CID 114796820

IUPAC2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESNc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-7-10(1-2-12(11)14)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2
InChIKeyURSLRGFTVCFVJL-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.80
Rot. Bonds4

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

2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114796820) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114796820
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESNc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-7-10(1-2-12(11)14)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2
InChIKeyURSLRGFTVCFVJL-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.80
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

2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-[1-(4-amino-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114798336
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
2-[1-(4-amino-3-fluorophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82846393
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-(3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 104626314
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 114796820) is 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is Nc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1F.
What is the InChIKey of 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is URSLRGFTVCFVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-7-10(1-2-12(11)14)19(17,18)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,14H2.
What are the key properties of 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 288.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).