(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine

C11H14BrClN2O3S — CID 103931384

IUPAC(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H](C)O1
InChIInChI=1S/C11H14BrClN2O3S/c1-7-5-15(6-8(2)18-7)19(16,17)10-3-9(12)4-14-11(10)13/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyPENZEZFUYASROV-OCAPTIKFSA-N
MW369.67 g/mol
LogP2.30
Rot. Bonds2

About (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine (PubChem CID 103931384) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
PubChem CID103931384
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H](C)O1
InChIInChI=1S/C11H14BrClN2O3S/c1-7-5-15(6-8(2)18-7)19(16,17)10-3-9(12)4-14-11(10)13/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyPENZEZFUYASROV-OCAPTIKFSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 102932488
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
CID 54975156
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49245874
1-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-4-(cyclopropylmethyl)piperazine
CID 61059092

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine (CID 103931384) is (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine?
The InChIKey is PENZEZFUYASROV-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-7-5-15(6-8(2)18-7)19(16,17)10-3-9(12)4-14-11(10)13/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine has a molecular weight of 369.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 103931384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).