[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14FN3O5S — CID 62158489

IUPAC[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C11H14FN3O5S/c12-9-4-8(15(17)18)5-10(13)11(9)21(19,20)14-3-1-2-7(14)6-16/h4-5,7,16H,1-3,6,13H2
InChIKeyHHMOITPUVGTKCT-UHFFFAOYSA-N
MW319.31 g/mol
LogP0.46
Rot. Bonds4

About [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 62158489) has the molecular formula C11H14FN3O5S and a molecular weight of 319.31 g/mol. Its IUPAC name is [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID62158489
Molecular FormulaC11H14FN3O5S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C11H14FN3O5S/c12-9-4-8(15(17)18)5-10(13)11(9)21(19,20)14-3-1-2-7(14)6-16/h4-5,7,16H,1-3,6,13H2
InChIKeyHHMOITPUVGTKCT-UHFFFAOYSA-N
XLogP0.46
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-5-nitrophenyl)sulfonylpiperidin-2-yl]methanol
CID 62153620
2-(azepan-1-ylsulfonyl)-3-fluoro-5-nitroaniline
CID 62149876
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409282
[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 103943148
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 65020971
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
[(2S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027928

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 62158489) is [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CCCC1CO.
What is the InChIKey of [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is HHMOITPUVGTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5S/c12-9-4-8(15(17)18)5-10(13)11(9)21(19,20)14-3-1-2-7(14)6-16/h4-5,7,16H,1-3,6,13H2.
What are the key properties of [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 319.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 62158489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).