2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide

C12H20BrNO4S — CID 79470111

IUPAC2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H20BrNO4S/c1-4-9(3)7-14(5-2)19(16,17)11-6-10(8-15)18-12(11)13/h6,9,15H,4-5,7-8H2,1-3H3
InChIKeyVJZLOQQDGWVXCC-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.59
Rot. Bonds7

About 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide

2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide (PubChem CID 79470111) has the molecular formula C12H20BrNO4S and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
PubChem CID79470111
Molecular FormulaC12H20BrNO4S
Molecular Weight354.27 g/mol
Exact Mass353.03
IUPAC Name2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H20BrNO4S/c1-4-9(3)7-14(5-2)19(16,17)11-6-10(8-15)18-12(11)13/h6,9,15H,4-5,7-8H2,1-3H3
InChIKeyVJZLOQQDGWVXCC-UHFFFAOYSA-N
XLogP2.59
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79471473
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
CID 79470791
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
CID 79864357
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
2-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919577
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide (CID 79470111) is 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide?
The InChIKey is VJZLOQQDGWVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO4S/c1-4-9(3)7-14(5-2)19(16,17)11-6-10(8-15)18-12(11)13/h6,9,15H,4-5,7-8H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide?
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide has a molecular weight of 354.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 79470111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).