1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine

C12H15Br2NO2S — CID 63219170

IUPAC1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2S/c1-12(2)6-3-7-15(12)18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUXZPIMJYAWZUFV-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine

1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine (PubChem CID 63219170) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
PubChem CID63219170
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2S/c1-12(2)6-3-7-15(12)18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUXZPIMJYAWZUFV-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine (CID 63219170) is 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine is CC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The InChIKey is UXZPIMJYAWZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c1-12(2)6-3-7-15(12)18(16,17)11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine has a molecular weight of 397.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 63219170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).