methyl 5-sulfamoylfuran-2-carboxylate

C6H7NO5S — CID 3146896

IUPACmethyl 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C6H7NO5S/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKeyUFSFEYMVAQRARY-UHFFFAOYSA-N
MW205.19 g/mol
LogP-0.29
Rot. Bonds2

About methyl 5-sulfamoylfuran-2-carboxylate

methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 3146896) has the molecular formula C6H7NO5S and a molecular weight of 205.19 g/mol. Its IUPAC name is methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-sulfamoylfuran-2-carboxylate
PubChem CID3146896
Molecular FormulaC6H7NO5S
Molecular Weight205.19 g/mol
Exact Mass205.00
IUPAC Namemethyl 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C6H7NO5S/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKeyUFSFEYMVAQRARY-UHFFFAOYSA-N
XLogP-0.29
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
CID 46426101
sodium 5-methoxycarbonylfuran-2-sulfonate
CID 87385701
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643755
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 39733384
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077

Frequently Asked Questions

What is the IUPAC name of methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of methyl 5-sulfamoylfuran-2-carboxylate (CID 3146896) is methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for methyl 5-sulfamoylfuran-2-carboxylate is COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is UFSFEYMVAQRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5S/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10).
What are the key properties of methyl 5-sulfamoylfuran-2-carboxylate?
methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 205.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 3146896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).