5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide

C13H22ClNO5S — CID 82943299

IUPAC5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(CCl)o1
InChIInChI=1S/C13H22ClNO5S/c1-3-18-9-7-15(8-10-19-4-2)21(16,17)13-6-5-12(11-14)20-13/h5-6H,3-4,7-11H2,1-2H3
InChIKeyVLXOBIDOMASEPF-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.08
Rot. Bonds11

About 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide

5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide (PubChem CID 82943299) has the molecular formula C13H22ClNO5S and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
PubChem CID82943299
Molecular FormulaC13H22ClNO5S
Molecular Weight339.84 g/mol
Exact Mass339.09
IUPAC Name5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(CCl)o1
InChIInChI=1S/C13H22ClNO5S/c1-3-18-9-7-15(8-10-19-4-2)21(16,17)13-6-5-12(11-14)20-13/h5-6H,3-4,7-11H2,1-2H3
InChIKeyVLXOBIDOMASEPF-UHFFFAOYSA-N
XLogP2.08
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide (CID 82943299) is 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1ccc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide?
The InChIKey is VLXOBIDOMASEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO5S/c1-3-18-9-7-15(8-10-19-4-2)21(16,17)13-6-5-12(11-14)20-13/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide?
5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide has a molecular weight of 339.84 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide is sourced from PubChem (CID 82943299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).