1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one

C11H10BrCl2NO3S — CID 63100893

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C11H10BrCl2NO3S/c1-6-2-10(16)15(5-6)19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6H,2,5H2,1H3
InChIKeyCXWPQADOPDHGTI-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.31
Rot. Bonds2

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

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one (PubChem CID 63100893) has the molecular formula C11H10BrCl2NO3S and a molecular weight of 387.08 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
PubChem CID63100893
Molecular FormulaC11H10BrCl2NO3S
Molecular Weight387.08 g/mol
Exact Mass384.89
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C11H10BrCl2NO3S/c1-6-2-10(16)15(5-6)19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6H,2,5H2,1H3
InChIKeyCXWPQADOPDHGTI-UHFFFAOYSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one (CID 63100893) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one is CC1CC(=O)N(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The InChIKey is CXWPQADOPDHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO3S/c1-6-2-10(16)15(5-6)19(17,18)11-8(13)3-7(12)4-9(11)14/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one has a molecular weight of 387.08 g/mol, XLogP of 3.31, 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)sulfonyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63100893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).