1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one

C10H8BrCl2NO3S — CID 61217637

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H8BrCl2NO3S/c11-6-4-7(12)10(8(13)5-6)18(16,17)14-3-1-2-9(14)15/h4-5H,1-3H2
InChIKeyVLPQWPDQWPTNFS-UHFFFAOYSA-N
MW373.06 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one

1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one (PubChem CID 61217637) has the molecular formula C10H8BrCl2NO3S and a molecular weight of 373.06 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one
PubChem CID61217637
Molecular FormulaC10H8BrCl2NO3S
Molecular Weight373.06 g/mol
Exact Mass370.88
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H8BrCl2NO3S/c11-6-4-7(12)10(8(13)5-6)18(16,17)14-3-1-2-9(14)15/h4-5H,1-3H2
InChIKeyVLPQWPDQWPTNFS-UHFFFAOYSA-N
XLogP3.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 63100893
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-one
CID 79995047
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767032
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 47306359
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(bromomethyl)pyrrolidine
CID 80675380
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 63900099
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one (CID 61217637) is 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one is O=C1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one?
The InChIKey is VLPQWPDQWPTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO3S/c11-6-4-7(12)10(8(13)5-6)18(16,17)14-3-1-2-9(14)15/h4-5H,1-3H2.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one?
1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one has a molecular weight of 373.06 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 61217637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).