2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate

C11H16BrNO7S — CID 103181676

IUPAC2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
SMILESCOCCCOCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C11H16BrNO7S/c1-17-3-2-4-18-5-6-19-11(14)8-7-9(10(12)20-8)21(13,15)16/h7H,2-6H2,1H3,(H2,13,15,16)
InChIKeyVBLVNCBPWHHDBC-UHFFFAOYSA-N
MW386.22 g/mol
LogP0.90
Rot. Bonds9

About 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate

2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate (PubChem CID 103181676) has the molecular formula C11H16BrNO7S and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
PubChem CID103181676
Molecular FormulaC11H16BrNO7S
Molecular Weight386.22 g/mol
Exact Mass384.98
IUPAC Name2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
SMILESCOCCCOCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C11H16BrNO7S/c1-17-3-2-4-18-5-6-19-11(14)8-7-9(10(12)20-8)21(13,15)16/h7H,2-6H2,1H3,(H2,13,15,16)
InChIKeyVBLVNCBPWHHDBC-UHFFFAOYSA-N
XLogP0.90
TPSA118.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
hexyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382703
2-propan-2-yloxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382070
2-(3-methoxypropoxy)ethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 103181618
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
(2-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382680
(4-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381254
hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65373543
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate (CID 103181676) is 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate is COCCCOCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The InChIKey is VBLVNCBPWHHDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO7S/c1-17-3-2-4-18-5-6-19-11(14)8-7-9(10(12)20-8)21(13,15)16/h7H,2-6H2,1H3,(H2,13,15,16).
What are the key properties of 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate has a molecular weight of 386.22 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 103181676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).