1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol

C10H10BrF2NO3S — CID 58457199

IUPAC1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)C1
InChIInChI=1S/C10H10BrF2NO3S/c11-7-3-8(12)9(13)4-10(7)18(16,17)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2
InChIKeyDVMHJCNGHNOTEY-UHFFFAOYSA-N
MW342.16 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol

1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 58457199) has the molecular formula C10H10BrF2NO3S and a molecular weight of 342.16 g/mol. Its IUPAC name is 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID58457199
Molecular FormulaC10H10BrF2NO3S
Molecular Weight342.16 g/mol
Exact Mass340.95
IUPAC Name1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)C1
InChIInChI=1S/C10H10BrF2NO3S/c11-7-3-8(12)9(13)4-10(7)18(16,17)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2
InChIKeyDVMHJCNGHNOTEY-UHFFFAOYSA-N
XLogP1.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol (CID 58457199) is 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1cc(F)c(F)cc1Br)N1CCC(O)C1.
What is the InChIKey of 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is DVMHJCNGHNOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO3S/c11-7-3-8(12)9(13)4-10(7)18(16,17)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2.
What are the key properties of 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol?
1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 342.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 58457199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).