[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol

C11H14BrClN2O4S — CID 102932488

IUPAC[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC(CO)O1
InChIInChI=1S/C11H14BrClN2O4S/c1-7-4-15(5-9(6-16)19-7)20(17,18)10-2-8(12)3-14-11(10)13/h2-3,7,9,16H,4-6H2,1H3
InChIKeyWCFOIAOOQIJFCI-UHFFFAOYSA-N
MW385.67 g/mol
LogP1.27
Rot. Bonds3

About [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol

[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932488) has the molecular formula C11H14BrClN2O4S and a molecular weight of 385.67 g/mol. Its IUPAC name is [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932488
Molecular FormulaC11H14BrClN2O4S
Molecular Weight385.67 g/mol
Exact Mass383.95
IUPAC Name[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC(CO)O1
InChIInChI=1S/C11H14BrClN2O4S/c1-7-4-15(5-9(6-16)19-7)20(17,18)10-2-8(12)3-14-11(10)13/h2-3,7,9,16H,4-6H2,1H3
InChIKeyWCFOIAOOQIJFCI-UHFFFAOYSA-N
XLogP1.27
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
4-chloro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932848
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
3-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932852
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol (CID 102932488) is [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC(CO)O1.
What is the InChIKey of [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is WCFOIAOOQIJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O4S/c1-7-4-15(5-9(6-16)19-7)20(17,18)10-2-8(12)3-14-11(10)13/h2-3,7,9,16H,4-6H2,1H3.
What are the key properties of [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol?
[4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 385.67 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).