4-(pyridin-2-ylsulfonimidoyl)benzoic acid

C12H10N2O3S — CID 168792310

IUPAC4-(pyridin-2-ylsulfonimidoyl)benzoic acid
SMILES[H]N=S(=O)(c1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C12H10N2O3S/c13-18(17,11-3-1-2-8-14-11)10-6-4-9(5-7-10)12(15)16/h1-8,13H,(H,15,16)
InChIKeyGVTZJIKJWNADTJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.24
Rot. Bonds3

About 4-(pyridin-2-ylsulfonimidoyl)benzoic acid

4-(pyridin-2-ylsulfonimidoyl)benzoic acid (PubChem CID 168792310) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(pyridin-2-ylsulfonimidoyl)benzoic acid.

Molecular Properties

Compound Name4-(pyridin-2-ylsulfonimidoyl)benzoic acid
PubChem CID168792310
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-(pyridin-2-ylsulfonimidoyl)benzoic acid
SMILES[H]N=S(=O)(c1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C12H10N2O3S/c13-18(17,11-3-1-2-8-14-11)10-6-4-9(5-7-10)12(15)16/h1-8,13H,(H,15,16)
InChIKeyGVTZJIKJWNADTJ-UHFFFAOYSA-N
XLogP2.24
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylsulfonimidoyl)benzoic acid?
The IUPAC name of 4-(pyridin-2-ylsulfonimidoyl)benzoic acid (CID 168792310) is 4-(pyridin-2-ylsulfonimidoyl)benzoic acid.
What is the SMILES notation for 4-(pyridin-2-ylsulfonimidoyl)benzoic acid?
The canonical SMILES for 4-(pyridin-2-ylsulfonimidoyl)benzoic acid is [H]N=S(=O)(c1ccc(C(=O)O)cc1)c1ccccn1.
What is the InChIKey of 4-(pyridin-2-ylsulfonimidoyl)benzoic acid?
The InChIKey is GVTZJIKJWNADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-18(17,11-3-1-2-8-14-11)10-6-4-9(5-7-10)12(15)16/h1-8,13H,(H,15,16).
What are the key properties of 4-(pyridin-2-ylsulfonimidoyl)benzoic acid?
4-(pyridin-2-ylsulfonimidoyl)benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylsulfonimidoyl)benzoic acid is sourced from PubChem (CID 168792310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).