1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol

C10H10F2N2O6S — CID 106672318

IUPAC1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)C(O)C2)c(F)cc1F
InChIInChI=1S/C10H10F2N2O6S/c11-5-1-6(12)10(2-7(5)14(17)18)21(19,20)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2
InChIKeyOUMSGFIIBDDVSX-UHFFFAOYSA-N
MW324.26 g/mol
LogP-0.40
Rot. Bonds3

About 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol

1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106672318) has the molecular formula C10H10F2N2O6S and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106672318
Molecular FormulaC10H10F2N2O6S
Molecular Weight324.26 g/mol
Exact Mass324.02
IUPAC Name1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)C(O)C2)c(F)cc1F
InChIInChI=1S/C10H10F2N2O6S/c11-5-1-6(12)10(2-7(5)14(17)18)21(19,20)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2
InChIKeyOUMSGFIIBDDVSX-UHFFFAOYSA-N
XLogP-0.40
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(2,4-difluoro-5-nitrophenyl)sulfonylazetidin-3-ol
CID 63104765
(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 79031547
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301816
1-(2,4-difluoro-5-nitrophenyl)sulfonylpiperidin-4-one
CID 30052415
1,5-difluoro-2-methylsulfonyl-4-nitrobenzene
CID 152640256
(2,4-difluoro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403581
1-(5-chloro-2-fluoro-4-nitrophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106129
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
4-(4-fluoro-2-methyl-5-nitrophenyl)sulfonyl-2-methylthiomorpholine
CID 115967599
(2,5-difluoro-4-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668656
2,4-difluoro-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 60660783
5-(4-fluoro-2-nitrophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212400

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol (CID 106672318) is 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol is O=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)C(O)C2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is OUMSGFIIBDDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O6S/c11-5-1-6(12)10(2-7(5)14(17)18)21(19,20)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2.
What are the key properties of 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 324.26 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).