2-(pyridin-3-ylsulfonylamino)acetic acid

C7H8N2O4S — CID 14676503

IUPAC2-(pyridin-3-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C7H8N2O4S/c10-7(11)5-9-14(12,13)6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)
InChIKeyATIOLTOEDAOGRD-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.56
Rot. Bonds4

About 2-(pyridin-3-ylsulfonylamino)acetic acid

2-(pyridin-3-ylsulfonylamino)acetic acid (PubChem CID 14676503) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(pyridin-3-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylsulfonylamino)acetic acid
PubChem CID14676503
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name2-(pyridin-3-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C7H8N2O4S/c10-7(11)5-9-14(12,13)6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)
InChIKeyATIOLTOEDAOGRD-UHFFFAOYSA-N
XLogP-0.56
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(pyridin-3-ylsulfonylamino)acetic acid (CID 14676503) is 2-(pyridin-3-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(pyridin-3-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(pyridin-3-ylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylsulfonylamino)acetic acid?
The InChIKey is ATIOLTOEDAOGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c10-7(11)5-9-14(12,13)6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11).
What are the key properties of 2-(pyridin-3-ylsulfonylamino)acetic acid?
2-(pyridin-3-ylsulfonylamino)acetic acid has a molecular weight of 216.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylsulfonylamino)acetic acid is sourced from PubChem (CID 14676503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).