2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide

C11H13BrN2O5S — CID 79237854

IUPAC2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C11H13BrN2O5S/c1-6-9(7(2)19-14-6)4-13-20(16,17)10-3-8(5-15)18-11(10)12/h3,13,15H,4-5H2,1-2H3
InChIKeyLFWUMYZTOWUUCQ-UHFFFAOYSA-N
MW365.21 g/mol
LogP1.62
Rot. Bonds5

About 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide

2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide (PubChem CID 79237854) has the molecular formula C11H13BrN2O5S and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
PubChem CID79237854
Molecular FormulaC11H13BrN2O5S
Molecular Weight365.21 g/mol
Exact Mass363.97
IUPAC Name2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C11H13BrN2O5S/c1-6-9(7(2)19-14-6)4-13-20(16,17)10-3-8(5-15)18-11(10)12/h3,13,15H,4-5H2,1-2H3
InChIKeyLFWUMYZTOWUUCQ-UHFFFAOYSA-N
XLogP1.62
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide (CID 79237854) is 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide?
The InChIKey is LFWUMYZTOWUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O5S/c1-6-9(7(2)19-14-6)4-13-20(16,17)10-3-8(5-15)18-11(10)12/h3,13,15H,4-5H2,1-2H3.
What are the key properties of 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide?
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide has a molecular weight of 365.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide is sourced from PubChem (CID 79237854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).