2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid

C13H13NO5S — CID 716043

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO5S/c15-13(16)10-14(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2,(H,15,16)
InChIKeyCJROUZFQNICTKL-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.56
Rot. Bonds6

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid

2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid (PubChem CID 716043) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
PubChem CID716043
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO5S/c15-13(16)10-14(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2,(H,15,16)
InChIKeyCJROUZFQNICTKL-UHFFFAOYSA-N
XLogP1.56
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[furan-2-ylmethyl-(3-nitrophenyl)sulfonylamino]acetic acid
CID 50894682
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid (CID 716043) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid?
The InChIKey is CJROUZFQNICTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c15-13(16)10-14(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2,(H,15,16).
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 716043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).