2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide

C13H23BrN2O4S — CID 106017578

IUPAC2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCC)oc1Br
InChIInChI=1S/C13H23BrN2O4S/c1-3-5-7-19-8-6-16-21(17,18)12-9-11(10-15-4-2)20-13(12)14/h9,15-16H,3-8,10H2,1-2H3
InChIKeyCZEHDZLQBBMXFC-UHFFFAOYSA-N
MW383.31 g/mol
LogP2.25
Rot. Bonds11

About 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide

2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide (PubChem CID 106017578) has the molecular formula C13H23BrN2O4S and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
PubChem CID106017578
Molecular FormulaC13H23BrN2O4S
Molecular Weight383.31 g/mol
Exact Mass382.06
IUPAC Name2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCC)oc1Br
InChIInChI=1S/C13H23BrN2O4S/c1-3-5-7-19-8-6-16-21(17,18)12-9-11(10-15-4-2)20-13(12)14/h9,15-16H,3-8,10H2,1-2H3
InChIKeyCZEHDZLQBBMXFC-UHFFFAOYSA-N
XLogP2.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
CID 106051221
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106080376
4-bromo-N-(2-butoxyethyl)-2-fluorobenzenesulfonamide
CID 116528205
3-amino-5-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 114379255
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide (CID 106017578) is 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide is CCCCOCCNS(=O)(=O)c1cc(CNCC)oc1Br.
What is the InChIKey of 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The InChIKey is CZEHDZLQBBMXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O4S/c1-3-5-7-19-8-6-16-21(17,18)12-9-11(10-15-4-2)20-13(12)14/h9,15-16H,3-8,10H2,1-2H3.
What are the key properties of 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide has a molecular weight of 383.31 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106017578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).