1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H11BrFNO4S — CID 168714044

IUPAC1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Br)ccc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H11BrFNO4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3
InChIKeyYXKFBAGHSDJYPW-UHFFFAOYSA-N
MW352.18 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714044) has the molecular formula C11H11BrFNO4S and a molecular weight of 352.18 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714044
Molecular FormulaC11H11BrFNO4S
Molecular Weight352.18 g/mol
Exact Mass350.96
IUPAC Name1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Br)ccc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H11BrFNO4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3
InChIKeyYXKFBAGHSDJYPW-UHFFFAOYSA-N
XLogP1.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714145
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
1-(4-bromo-2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670131
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
1-(5-bromo-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716233
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(4-cyano-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711463
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714044) is 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cc(Br)ccc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is YXKFBAGHSDJYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 352.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).