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

C13H14BrIN2O3S — CID 106029405

IUPAC2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccc(I)c2)c(Br)o1
InChIInChI=1S/C13H14BrIN2O3S/c1-2-16-8-11-7-12(13(14)20-11)21(18,19)17-10-5-3-4-9(15)6-10/h3-7,16-17H,2,8H2,1H3
InChIKeyQIRLUTOZCIHTIC-UHFFFAOYSA-N
MW485.14 g/mol
LogP3.56
Rot. Bonds6

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

2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide (PubChem CID 106029405) has the molecular formula C13H14BrIN2O3S and a molecular weight of 485.14 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
PubChem CID106029405
Molecular FormulaC13H14BrIN2O3S
Molecular Weight485.14 g/mol
Exact Mass483.90
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccc(I)c2)c(Br)o1
InChIInChI=1S/C13H14BrIN2O3S/c1-2-16-8-11-7-12(13(14)20-11)21(18,19)17-10-5-3-4-9(15)6-10/h3-7,16-17H,2,8H2,1H3
InChIKeyQIRLUTOZCIHTIC-UHFFFAOYSA-N
XLogP3.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.14
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
CID 106029546
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106086603
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
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-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
CID 54888660
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
CID 106051221
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide (CID 106029405) is 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2cccc(I)c2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide?
The InChIKey is QIRLUTOZCIHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrIN2O3S/c1-2-16-8-11-7-12(13(14)20-11)21(18,19)17-10-5-3-4-9(15)6-10/h3-7,16-17H,2,8H2,1H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide has a molecular weight of 485.14 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide is sourced from PubChem (CID 106029405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).