4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid

C14H12N2O4S — CID 77003684

IUPAC4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)C=Cc2ccccc2)ccn1
InChIInChI=1S/C14H12N2O4S/c17-14(18)13-10-12(6-8-15-13)16-21(19,20)9-7-11-4-2-1-3-5-11/h1-10H,(H,15,16)(H,17,18)
InChIKeyVZKCICIRFATJGQ-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.19
Rot. Bonds5

About 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid

4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 77003684) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID77003684
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)C=Cc2ccccc2)ccn1
InChIInChI=1S/C14H12N2O4S/c17-14(18)13-10-12(6-8-15-13)16-21(19,20)9-7-11-4-2-1-3-5-11/h1-10H,(H,15,16)(H,17,18)
InChIKeyVZKCICIRFATJGQ-UHFFFAOYSA-N
XLogP2.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid (CID 77003684) is 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)C=Cc2ccccc2)ccn1.
What is the InChIKey of 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is VZKCICIRFATJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-14(18)13-10-12(6-8-15-13)16-21(19,20)9-7-11-4-2-1-3-5-11/h1-10H,(H,15,16)(H,17,18).
What are the key properties of 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid?
4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 77003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).