[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

C12H15FN2O5S — CID 103943148

IUPAC[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15FN2O5S/c1-8-5-10(13)11(15(17)18)6-12(8)21(19,20)14-4-2-3-9(14)7-16/h5-6,9,16H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyFKVLFQYCJJEHJA-SECBINFHSA-N
MW318.33 g/mol
LogP1.19
Rot. Bonds4

About [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 103943148) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID103943148
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15FN2O5S/c1-8-5-10(13)11(15(17)18)6-12(8)21(19,20)14-4-2-3-9(14)7-16/h5-6,9,16H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyFKVLFQYCJJEHJA-SECBINFHSA-N
XLogP1.19
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.19
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-(4,5-dimethyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027928
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409282
[1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409335
1-(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-2-ethylpyrrolidine
CID 81041435
[(2S)-1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260606
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[1-(2,5-dibromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 81326897
2-hydroxy-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 61409060
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 62158489
[1-(4-hydrazinyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409810
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 103943148) is [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is FKVLFQYCJJEHJA-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-8-5-10(13)11(15(17)18)6-12(8)21(19,20)14-4-2-3-9(14)7-16/h5-6,9,16H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 318.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluoro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 103943148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).