5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid

C11H14BrNO6S — CID 62804157

IUPAC5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)O)oc2Br)CC(C)O1
InChIInChI=1S/C11H14BrNO6S/c1-6-4-13(5-7(2)18-6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15)
InChIKeyICZIYNPNGBRLTQ-UHFFFAOYSA-N
MW368.21 g/mol
LogP1.54
Rot. Bonds3

About 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid

5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 62804157) has the molecular formula C11H14BrNO6S and a molecular weight of 368.21 g/mol. Its IUPAC name is 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
PubChem CID62804157
Molecular FormulaC11H14BrNO6S
Molecular Weight368.21 g/mol
Exact Mass366.97
IUPAC Name5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)O)oc2Br)CC(C)O1
InChIInChI=1S/C11H14BrNO6S/c1-6-4-13(5-7(2)18-6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15)
InChIKeyICZIYNPNGBRLTQ-UHFFFAOYSA-N
XLogP1.54
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215834
5-bromo-4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215678
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-bromo-4-(3-oxopiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62804167
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-5-bromofuran-2-carboxylic acid
CID 65319120
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoic acid
CID 9160496
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid (CID 62804157) is 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid is CC1CN(S(=O)(=O)c2cc(C(=O)O)oc2Br)CC(C)O1.
What is the InChIKey of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is ICZIYNPNGBRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO6S/c1-6-4-13(5-7(2)18-6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 368.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 62804157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).