[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H13FN2O5S — CID 61409282

IUPAC[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2CO)ccc1F
InChIInChI=1S/C11H13FN2O5S/c12-10-4-3-9(6-11(10)14(16)17)20(18,19)13-5-1-2-8(13)7-15/h3-4,6,8,15H,1-2,5,7H2
InChIKeyRDUSBFXGBYFTJR-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.88
Rot. Bonds4

About [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61409282) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61409282
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2CO)ccc1F
InChIInChI=1S/C11H13FN2O5S/c12-10-4-3-9(6-11(10)14(16)17)20(18,19)13-5-1-2-8(13)7-15/h3-4,6,8,15H,1-2,5,7H2
InChIKeyRDUSBFXGBYFTJR-UHFFFAOYSA-N
XLogP0.88
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(4-hydrazinyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409771
2-fluoro-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 61408927
[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 103943148
[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 82847679
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[(2S)-1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260606
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 62158489
[(2S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027928
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 61409282) is [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2CO)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is RDUSBFXGBYFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-10-4-3-9(6-11(10)14(16)17)20(18,19)13-5-1-2-8(13)7-15/h3-4,6,8,15H,1-2,5,7H2.
What are the key properties of [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 304.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).