2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine

C12H15BrFNO3S — CID 81212406

IUPAC2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C12H15BrFNO3S/c1-9-6-10(14)2-3-12(9)19(16,17)15-4-5-18-11(7-13)8-15/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyJGBGIAYPRFWUFD-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.92
Rot. Bonds3

About 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine

2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine (PubChem CID 81212406) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
PubChem CID81212406
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C12H15BrFNO3S/c1-9-6-10(14)2-3-12(9)19(16,17)15-4-5-18-11(7-13)8-15/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyJGBGIAYPRFWUFD-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211432
2-(chloromethyl)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211515
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208677
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine (CID 81212406) is 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine?
The InChIKey is JGBGIAYPRFWUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-9-6-10(14)2-3-12(9)19(16,17)15-4-5-18-11(7-13)8-15/h2-3,6,11H,4-5,7-8H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine?
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine has a molecular weight of 352.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 81212406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).