2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine

C10H12ClFN2O3S — CID 103308297

IUPAC2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
SMILESO=S(=O)(c1ncccc1F)N1CCOC(CCl)C1
InChIInChI=1S/C10H12ClFN2O3S/c11-6-8-7-14(4-5-17-8)18(15,16)10-9(12)2-1-3-13-10/h1-3,8H,4-7H2
InChIKeyIEIKQEJLGOHAJU-UHFFFAOYSA-N
MW294.73 g/mol
LogP0.85
Rot. Bonds3

About 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine

2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine (PubChem CID 103308297) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
PubChem CID103308297
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC Name2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
SMILESO=S(=O)(c1ncccc1F)N1CCOC(CCl)C1
InChIInChI=1S/C10H12ClFN2O3S/c11-6-8-7-14(4-5-17-8)18(15,16)10-9(12)2-1-3-13-10/h1-3,8H,4-7H2
InChIKeyIEIKQEJLGOHAJU-UHFFFAOYSA-N
XLogP0.85
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 50.85
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

1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
CID 103302658
[4-[(3-amino-2-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 103306629
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552
2-(chloromethyl)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211515
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
2-(chloromethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211432
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine (CID 103308297) is 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine is O=S(=O)(c1ncccc1F)N1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine?
The InChIKey is IEIKQEJLGOHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-6-8-7-14(4-5-17-8)18(15,16)10-9(12)2-1-3-13-10/h1-3,8H,4-7H2.
What are the key properties of 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine?
2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine has a molecular weight of 294.73 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine is sourced from PubChem (CID 103308297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).