N'-(benzenesulfonamido)pyridine-2-carboximidamide

C12H12N4O2S — CID 2739051

IUPACN'-(benzenesulfonamido)pyridine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C12H12N4O2S/c13-12(11-8-4-5-9-14-11)15-16-19(17,18)10-6-2-1-3-7-10/h1-9,16H,(H2,13,15)
InChIKeyJOZKLJASVPDHES-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.68
Rot. Bonds4

About N'-(benzenesulfonamido)pyridine-2-carboximidamide

N'-(benzenesulfonamido)pyridine-2-carboximidamide (PubChem CID 2739051) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N'-(benzenesulfonamido)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonamido)pyridine-2-carboximidamide
PubChem CID2739051
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN'-(benzenesulfonamido)pyridine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C12H12N4O2S/c13-12(11-8-4-5-9-14-11)15-16-19(17,18)10-6-2-1-3-7-10/h1-9,16H,(H2,13,15)
InChIKeyJOZKLJASVPDHES-UHFFFAOYSA-N
XLogP0.68
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonamido)pyridine-2-carboximidamide?
The IUPAC name of N'-(benzenesulfonamido)pyridine-2-carboximidamide (CID 2739051) is N'-(benzenesulfonamido)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(benzenesulfonamido)pyridine-2-carboximidamide?
The canonical SMILES for N'-(benzenesulfonamido)pyridine-2-carboximidamide is NC(=NNS(=O)(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N'-(benzenesulfonamido)pyridine-2-carboximidamide?
The InChIKey is JOZKLJASVPDHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-12(11-8-4-5-9-14-11)15-16-19(17,18)10-6-2-1-3-7-10/h1-9,16H,(H2,13,15).
What are the key properties of N'-(benzenesulfonamido)pyridine-2-carboximidamide?
N'-(benzenesulfonamido)pyridine-2-carboximidamide has a molecular weight of 276.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonamido)pyridine-2-carboximidamide is sourced from PubChem (CID 2739051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).