2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan

C6H9BrN2O3S — CID 112684674

IUPAC2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
SMILESCN(Cc1ccc(Br)o1)S(N)(=O)=O
InChIInChI=1S/C6H9BrN2O3S/c1-9(13(8,10)11)4-5-2-3-6(7)12-5/h2-3H,4H2,1H3,(H2,8,10,11)
InChIKeyRCHOXFYXXJJYFZ-UHFFFAOYSA-N
MW269.12 g/mol
LogP0.68
Rot. Bonds3

About 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan

2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan (PubChem CID 112684674) has the molecular formula C6H9BrN2O3S and a molecular weight of 269.12 g/mol. Its IUPAC name is 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
PubChem CID112684674
Molecular FormulaC6H9BrN2O3S
Molecular Weight269.12 g/mol
Exact Mass267.95
IUPAC Name2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
SMILESCN(Cc1ccc(Br)o1)S(N)(=O)=O
InChIInChI=1S/C6H9BrN2O3S/c1-9(13(8,10)11)4-5-2-3-6(7)12-5/h2-3H,4H2,1H3,(H2,8,10,11)
InChIKeyRCHOXFYXXJJYFZ-UHFFFAOYSA-N
XLogP0.68
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
CID 86984289
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61047016
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
6-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63871848
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405
3-[(5-bromofuran-2-yl)methyl-methylamino]-2-nitrobenzenesulfonamide
CID 133442107
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan?
The IUPAC name of 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan (CID 112684674) is 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan.
What is the SMILES notation for 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan?
The canonical SMILES for 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan is CN(Cc1ccc(Br)o1)S(N)(=O)=O.
What is the InChIKey of 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan?
The InChIKey is RCHOXFYXXJJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O3S/c1-9(13(8,10)11)4-5-2-3-6(7)12-5/h2-3H,4H2,1H3,(H2,8,10,11).
What are the key properties of 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan?
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan has a molecular weight of 269.12 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan is sourced from PubChem (CID 112684674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).