2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine

C11H14BrFN2O3S — CID 81212099

IUPAC2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine
SMILESCC1COC(CBr)CN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O3S/c1-8-7-18-10(3-12)6-15(8)19(16,17)11-2-9(13)4-14-5-11/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyCDZTZUSLZNNEEC-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.39
Rot. Bonds3

About 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine

2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine (PubChem CID 81212099) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine
PubChem CID81212099
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine
SMILESCC1COC(CBr)CN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O3S/c1-8-7-18-10(3-12)6-15(8)19(16,17)11-2-9(13)4-14-5-11/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyCDZTZUSLZNNEEC-UHFFFAOYSA-N
XLogP1.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Morpholinosulfonyl)pyridine
CID 4276436
4-[(5-Fluoro-3-pyridinyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 72026082
5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 75418275
N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-3-sulfonamide
CID 124606112
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
CID 126810877
N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 128580927
N-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 129614595
5-fluoro-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 136518656
3-Fluoro-5-(2-methylpiperidin-1-ylsulfonyl)pyridine
CID 47084850
1-[(5-fluoro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-3-amine
CID 60319967
Ethyl 2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61782715
Ethyl 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]acetate
CID 61782716

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine (CID 81212099) is 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine is CC1COC(CBr)CN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine?
The InChIKey is CDZTZUSLZNNEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c1-8-7-18-10(3-12)6-15(8)19(16,17)11-2-9(13)4-14-5-11/h2,4-5,8,10H,3,6-7H2,1H3.
What are the key properties of 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine?
2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine has a molecular weight of 353.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine is sourced from PubChem (CID 81212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).