4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine

C13H18BrNO3S — CID 7731309

IUPAC4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1Br
InChIInChI=1S/C13H18BrNO3S/c1-9-8-10(2)13(11(3)12(9)14)19(16,17)15-4-6-18-7-5-15/h8H,4-7H2,1-3H3
InChIKeyLKMGLAQFCGSMRW-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine

4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine (PubChem CID 7731309) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
PubChem CID7731309
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1Br
InChIInChI=1S/C13H18BrNO3S/c1-9-8-10(2)13(11(3)12(9)14)19(16,17)15-4-6-18-7-5-15/h8H,4-7H2,1-3H3
InChIKeyLKMGLAQFCGSMRW-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4,6-trimethylphenyl)sulfonylazepane
CID 91670160
1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184063
N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 107328906
4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
CID 21210207
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 3557196
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 17482039
1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 91669838
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine (CID 7731309) is 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine is Cc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1Br.
What is the InChIKey of 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine?
The InChIKey is LKMGLAQFCGSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-9-8-10(2)13(11(3)12(9)14)19(16,17)15-4-6-18-7-5-15/h8H,4-7H2,1-3H3.
What are the key properties of 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine?
4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine has a molecular weight of 348.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 7731309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).