4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine

C11H13BrFNO3S — CID 47257439

IUPAC4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2Br)CCO1
InChIInChI=1S/C11H13BrFNO3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyAEHAUPOBKXGZDH-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine

4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine (PubChem CID 47257439) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
PubChem CID47257439
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2Br)CCO1
InChIInChI=1S/C11H13BrFNO3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyAEHAUPOBKXGZDH-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
3-bromo-4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986710
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257108
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
4-fluoro-2-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]benzoic acid
CID 102919520

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine (CID 47257439) is 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine is CC1CN(S(=O)(=O)c2ccc(F)cc2Br)CCO1.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine?
The InChIKey is AEHAUPOBKXGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine?
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine has a molecular weight of 338.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine is sourced from PubChem (CID 47257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).