4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine

C12H15Br2NO3S — CID 47257434

IUPAC4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CC(C)O1
InChIInChI=1S/C12H15Br2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRJROQVQPXSRMMD-UHFFFAOYSA-N
MW413.13 g/mol
LogP3.01
Rot. Bonds2

About 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine

4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 47257434) has the molecular formula C12H15Br2NO3S and a molecular weight of 413.13 g/mol. Its IUPAC name is 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID47257434
Molecular FormulaC12H15Br2NO3S
Molecular Weight413.13 g/mol
Exact Mass410.91
IUPAC Name4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CC(C)O1
InChIInChI=1S/C12H15Br2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRJROQVQPXSRMMD-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.13
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine (CID 47257434) is 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(Br)cc2Br)CC(C)O1.
What is the InChIKey of 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is RJROQVQPXSRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 413.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 47257434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).