2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide

C9H14BrNO6S2 — CID 79864357

IUPAC2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C9H14BrNO6S2/c1-11(3-4-18(2,13)14)19(15,16)8-5-7(6-12)17-9(8)10/h5,12H,3-4,6H2,1-2H3
InChIKeyRTOWKZZFNZVIIY-UHFFFAOYSA-N
MW376.25 g/mol
LogP0.20
Rot. Bonds6

About 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide (PubChem CID 79864357) has the molecular formula C9H14BrNO6S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
PubChem CID79864357
Molecular FormulaC9H14BrNO6S2
Molecular Weight376.25 g/mol
Exact Mass374.94
IUPAC Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C9H14BrNO6S2/c1-11(3-4-18(2,13)14)19(15,16)8-5-7(6-12)17-9(8)10/h5,12H,3-4,6H2,1-2H3
InChIKeyRTOWKZZFNZVIIY-UHFFFAOYSA-N
XLogP0.20
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 105117594
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
CID 106044189
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
2-bromo-5-(chloromethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 114363680
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide (CID 79864357) is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide?
The InChIKey is RTOWKZZFNZVIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO6S2/c1-11(3-4-18(2,13)14)19(15,16)8-5-7(6-12)17-9(8)10/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide has a molecular weight of 376.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide is sourced from PubChem (CID 79864357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).