methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate

C13H14N2O5S — CID 104607981

IUPACmethyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H14N2O5S/c1-19-13(16)9-6-11(20-8-9)7-15-10-2-4-12(5-3-10)21(14,17)18/h2-6,8,15H,7H2,1H3,(H2,14,17,18)
InChIKeyXNAHZQWICYFXBD-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.33
Rot. Bonds5

About methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate

methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate (PubChem CID 104607981) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
PubChem CID104607981
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Namemethyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H14N2O5S/c1-19-13(16)9-6-11(20-8-9)7-15-10-2-4-12(5-3-10)21(14,17)18/h2-6,8,15H,7H2,1H3,(H2,14,17,18)
InChIKeyXNAHZQWICYFXBD-UHFFFAOYSA-N
XLogP1.33
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-[(3,4-dicyanoanilino)methyl]furan-3-carboxylate
CID 107788621
methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
CID 104586718
methyl 5-[(3-chloro-4-methoxyanilino)methyl]furan-3-carboxylate
CID 104585623
methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate
CID 107272142
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
methyl 5-[(1-benzothiophen-5-ylamino)methyl]furan-3-carboxylate
CID 104586668
methyl 5-[(3-chloro-4-cyanoanilino)methyl]furan-3-carboxylate
CID 104608199
5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
methyl 5-[(3-ethynylanilino)methyl]furan-3-carboxylate
CID 104607899
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate (CID 104607981) is methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate?
The InChIKey is XNAHZQWICYFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-19-13(16)9-6-11(20-8-9)7-15-10-2-4-12(5-3-10)21(14,17)18/h2-6,8,15H,7H2,1H3,(H2,14,17,18).
What are the key properties of methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate?
methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104607981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).