1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H8BrF2NO3S — CID 168715381

IUPAC1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrF2NO3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2
InChIKeyWCGVSBZIRVVQSF-UHFFFAOYSA-N
MW340.15 g/mol
LogP1.99
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715381) has the molecular formula C10H8BrF2NO3S and a molecular weight of 340.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715381
Molecular FormulaC10H8BrF2NO3S
Molecular Weight340.15 g/mol
Exact Mass338.94
IUPAC Name1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrF2NO3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2
InChIKeyWCGVSBZIRVVQSF-UHFFFAOYSA-N
XLogP1.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
2-fluoro-5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715398
[1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676978
1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715960
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(3-fluoro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715424
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(3-bromo-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502147
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715381) is 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is WCGVSBZIRVVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 340.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).