2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide

C12H19BrN2O4S — CID 106063015

IUPAC2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCOCC2)c(Br)o1
InChIInChI=1S/C12H19BrN2O4S/c1-14-8-10-6-11(12(13)19-10)20(16,17)15-7-9-2-4-18-5-3-9/h6,9,14-15H,2-5,7-8H2,1H3
InChIKeyRKPUEMRQNJZTJY-UHFFFAOYSA-N
MW367.27 g/mol
LogP1.47
Rot. Bonds6

About 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide (PubChem CID 106063015) has the molecular formula C12H19BrN2O4S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
PubChem CID106063015
Molecular FormulaC12H19BrN2O4S
Molecular Weight367.27 g/mol
Exact Mass366.02
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCOCC2)c(Br)o1
InChIInChI=1S/C12H19BrN2O4S/c1-14-8-10-6-11(12(13)19-10)20(16,17)15-7-9-2-4-18-5-3-9/h6,9,14-15H,2-5,7-8H2,1H3
InChIKeyRKPUEMRQNJZTJY-UHFFFAOYSA-N
XLogP1.47
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide (CID 106063015) is 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2CCOCC2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
The InChIKey is RKPUEMRQNJZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O4S/c1-14-8-10-6-11(12(13)19-10)20(16,17)15-7-9-2-4-18-5-3-9/h6,9,14-15H,2-5,7-8H2,1H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide has a molecular weight of 367.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).