5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid

C12H12N2O5S — CID 104607980

IUPAC5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C12H12N2O5S/c13-20(17,18)11-3-1-9(2-4-11)14-6-10-5-8(7-19-10)12(15)16/h1-5,7,14H,6H2,(H,15,16)(H2,13,17,18)
InChIKeyPHVDFULCGFPNBJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.24
Rot. Bonds5

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

5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid (PubChem CID 104607980) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid
PubChem CID104607980
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C12H12N2O5S/c13-20(17,18)11-3-1-9(2-4-11)14-6-10-5-8(7-19-10)12(15)16/h1-5,7,14H,6H2,(H,15,16)(H2,13,17,18)
InChIKeyPHVDFULCGFPNBJ-UHFFFAOYSA-N
XLogP1.24
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid (CID 104607980) is 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid is NS(=O)(=O)c1ccc(NCc2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid?
The InChIKey is PHVDFULCGFPNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c13-20(17,18)11-3-1-9(2-4-11)14-6-10-5-8(7-19-10)12(15)16/h1-5,7,14H,6H2,(H,15,16)(H2,13,17,18).
What are the key properties of 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid?
5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).