1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H7BrClF2NO3S — CID 168712325

IUPAC1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrClF2NO3S/c11-7-1-5(13)2-8(14)10(7)15-4-6(3-9(15)16)19(12,17)18/h1-2,6H,3-4H2
InChIKeyMAISDBRPVSCULE-UHFFFAOYSA-N
MW374.59 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712325) has the molecular formula C10H7BrClF2NO3S and a molecular weight of 374.59 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712325
Molecular FormulaC10H7BrClF2NO3S
Molecular Weight374.59 g/mol
Exact Mass372.90
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrClF2NO3S/c11-7-1-5(13)2-8(14)10(7)15-4-6(3-9(15)16)19(12,17)18/h1-2,6H,3-4H2
InChIKeyMAISDBRPVSCULE-UHFFFAOYSA-N
XLogP2.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
4-(azidomethyl)-1-(2-bromo-4,6-difluorophenyl)pyrrolidin-2-one
CID 168657559
[1-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673890
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718486
[1-(2-bromo-4-chloro-6-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676817
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712325) is 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is MAISDBRPVSCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF2NO3S/c11-7-1-5(13)2-8(14)10(7)15-4-6(3-9(15)16)19(12,17)18/h1-2,6H,3-4H2.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 374.59 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).