2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate

C8H10BrNO6S — CID 65381468

IUPAC2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C8H10BrNO6S/c1-14-2-3-15-8(11)5-4-6(7(9)16-5)17(10,12)13/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNUVJCBFDSMACOK-UHFFFAOYSA-N
MW328.14 g/mol
LogP0.49
Rot. Bonds5

About 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate

2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate (PubChem CID 65381468) has the molecular formula C8H10BrNO6S and a molecular weight of 328.14 g/mol. Its IUPAC name is 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
PubChem CID65381468
Molecular FormulaC8H10BrNO6S
Molecular Weight328.14 g/mol
Exact Mass326.94
IUPAC Name2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C8H10BrNO6S/c1-14-2-3-15-8(11)5-4-6(7(9)16-5)17(10,12)13/h4H,2-3H2,1H3,(H2,10,12,13)
InChIKeyNUVJCBFDSMACOK-UHFFFAOYSA-N
XLogP0.49
TPSA108.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 103181676
2-propan-2-yloxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382070
hexyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382703
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
(2-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382680
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
(4-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381254
hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65373543
5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 79558158
5-bromo-N-(2-methoxypropyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 112754747
2-(3-methoxypropoxy)ethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 103181618

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The IUPAC name of 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate (CID 65381468) is 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate is COCCOC(=O)c1cc(S(N)(=O)=O)c(Br)o1.
What is the InChIKey of 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
The InChIKey is NUVJCBFDSMACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO6S/c1-14-2-3-15-8(11)5-4-6(7(9)16-5)17(10,12)13/h4H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate?
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate has a molecular weight of 328.14 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 65381468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).