methyl 5-(benzenesulfonamido)furan-2-carboxylate

C12H11NO5S — CID 2767874

IUPACmethyl 5-(benzenesulfonamido)furan-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H11NO5S/c1-17-12(14)10-7-8-11(18-10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyBEHKUWDFUJBNDG-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.87
Rot. Bonds4

About methyl 5-(benzenesulfonamido)furan-2-carboxylate

methyl 5-(benzenesulfonamido)furan-2-carboxylate (PubChem CID 2767874) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 5-(benzenesulfonamido)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(benzenesulfonamido)furan-2-carboxylate
PubChem CID2767874
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Namemethyl 5-(benzenesulfonamido)furan-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C12H11NO5S/c1-17-12(14)10-7-8-11(18-10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyBEHKUWDFUJBNDG-UHFFFAOYSA-N
XLogP1.87
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(benzenesulfonamido)furan-2-carboxylate?
The IUPAC name of methyl 5-(benzenesulfonamido)furan-2-carboxylate (CID 2767874) is methyl 5-(benzenesulfonamido)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(benzenesulfonamido)furan-2-carboxylate?
The canonical SMILES for methyl 5-(benzenesulfonamido)furan-2-carboxylate is COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of methyl 5-(benzenesulfonamido)furan-2-carboxylate?
The InChIKey is BEHKUWDFUJBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c1-17-12(14)10-7-8-11(18-10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3.
What are the key properties of methyl 5-(benzenesulfonamido)furan-2-carboxylate?
methyl 5-(benzenesulfonamido)furan-2-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzenesulfonamido)furan-2-carboxylate is sourced from PubChem (CID 2767874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).