1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H8BrClFNO3S — CID 168716060

IUPAC1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1Br
InChIInChI=1S/C10H8BrClFNO3S/c11-10-7(12)2-1-3-8(10)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5H2
InChIKeyLQJVJBIOHSBKHL-UHFFFAOYSA-N
MW356.60 g/mol
LogP2.51
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716060) has the molecular formula C10H8BrClFNO3S and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716060
Molecular FormulaC10H8BrClFNO3S
Molecular Weight356.60 g/mol
Exact Mass354.91
IUPAC Name1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1Br
InChIInChI=1S/C10H8BrClFNO3S/c11-10-7(12)2-1-3-8(10)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5H2
InChIKeyLQJVJBIOHSBKHL-UHFFFAOYSA-N
XLogP2.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716060) is 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is LQJVJBIOHSBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFNO3S/c11-10-7(12)2-1-3-8(10)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5H2.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 356.60 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).