2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid

C13H12N2O4S — CID 1472180

IUPAC2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c16-13(17)10-15(12-8-4-5-9-14-12)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyVAHXWPCPCXYHCI-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.36
Rot. Bonds5

About 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid

2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid (PubChem CID 1472180) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid
PubChem CID1472180
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c16-13(17)10-15(12-8-4-5-9-14-12)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyVAHXWPCPCXYHCI-UHFFFAOYSA-N
XLogP1.36
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid?
The IUPAC name of 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid (CID 1472180) is 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid is O=C(O)CN(c1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid?
The InChIKey is VAHXWPCPCXYHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-13(17)10-15(12-8-4-5-9-14-12)20(18,19)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid?
2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(pyridin-2-yl)amino]acetic acid is sourced from PubChem (CID 1472180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).