4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine

C12H15Br2NO2S2 — CID 113242768

IUPAC4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine
SMILESCCC1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCS1
InChIInChI=1S/C12H15Br2NO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyKNXCZTUOVCGYLB-UHFFFAOYSA-N
MW429.20 g/mol
LogP3.73
Rot. Bonds3

About 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine

4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine (PubChem CID 113242768) has the molecular formula C12H15Br2NO2S2 and a molecular weight of 429.20 g/mol. Its IUPAC name is 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine
PubChem CID113242768
Molecular FormulaC12H15Br2NO2S2
Molecular Weight429.20 g/mol
Exact Mass426.89
IUPAC Name4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine
SMILESCCC1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCS1
InChIInChI=1S/C12H15Br2NO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyKNXCZTUOVCGYLB-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-methylphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650834
4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine
CID 115650840
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
4-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650859
[4-bromo-3-(2-ethylthiomorpholin-4-yl)sulfonyl-5-methylphenyl]methanol
CID 114363321
ethyl (3R)-1-(2,5-dibromophenyl)sulfonylpiperidine-3-carboxylate
CID 26948371
1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
CID 63106090
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
methyl 2-(2-ethylthiomorpholin-4-yl)sulfonylbenzoate
CID 103698292
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
1-(2,5-dibromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030797

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine?
The IUPAC name of 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine (CID 113242768) is 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine.
What is the SMILES notation for 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine?
The canonical SMILES for 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine is CCC1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCS1.
What is the InChIKey of 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine?
The InChIKey is KNXCZTUOVCGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine?
4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine has a molecular weight of 429.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine is sourced from PubChem (CID 113242768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).