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

C13H15IN2O3S — CID 106029546

IUPAC5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)o1
InChIInChI=1S/C13H15IN2O3S/c1-2-15-9-12-6-7-13(19-12)20(17,18)16-11-5-3-4-10(14)8-11/h3-8,15-16H,2,9H2,1H3
InChIKeyXMDCZYRPXPLAGU-UHFFFAOYSA-N
MW406.25 g/mol
LogP2.79
Rot. Bonds6

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

5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide (PubChem CID 106029546) has the molecular formula C13H15IN2O3S and a molecular weight of 406.25 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
PubChem CID106029546
Molecular FormulaC13H15IN2O3S
Molecular Weight406.25 g/mol
Exact Mass405.98
IUPAC Name5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)o1
InChIInChI=1S/C13H15IN2O3S/c1-2-15-9-12-6-7-13(19-12)20(17,18)16-11-5-3-4-10(14)8-11/h3-8,15-16H,2,9H2,1H3
InChIKeyXMDCZYRPXPLAGU-UHFFFAOYSA-N
XLogP2.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 52.79
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

2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)furan-2-sulfonamide
CID 106086991
N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
5-(ethylaminomethyl)-N-(2-methoxyphenyl)furan-2-sulfonamide
CID 106045113
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide (CID 106029546) is 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide?
The InChIKey is XMDCZYRPXPLAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3S/c1-2-15-9-12-6-7-13(19-12)20(17,18)16-11-5-3-4-10(14)8-11/h3-8,15-16H,2,9H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide?
5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide has a molecular weight of 406.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide is sourced from PubChem (CID 106029546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).