6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide

C9H13ClN4O3S — CID 174144489

IUPAC6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide
SMILESCCON=C(N)c1ccc(S(=O)(=O)NC)c(Cl)n1
InChIInChI=1S/C9H13ClN4O3S/c1-3-17-14-9(11)6-4-5-7(8(10)13-6)18(15,16)12-2/h4-5,12H,3H2,1-2H3,(H2,11,14)
InChIKeyRLYLTVWNSUQIFS-UHFFFAOYSA-N
MW292.75 g/mol
LogP0.30
Rot. Bonds5

About 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide

6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide (PubChem CID 174144489) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide
PubChem CID174144489
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide
SMILESCCON=C(N)c1ccc(S(=O)(=O)NC)c(Cl)n1
InChIInChI=1S/C9H13ClN4O3S/c1-3-17-14-9(11)6-4-5-7(8(10)13-6)18(15,16)12-2/h4-5,12H,3H2,1-2H3,(H2,11,14)
InChIKeyRLYLTVWNSUQIFS-UHFFFAOYSA-N
XLogP0.30
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide?
The IUPAC name of 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide (CID 174144489) is 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide?
The canonical SMILES for 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide is CCON=C(N)c1ccc(S(=O)(=O)NC)c(Cl)n1.
What is the InChIKey of 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide?
The InChIKey is RLYLTVWNSUQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c1-3-17-14-9(11)6-4-5-7(8(10)13-6)18(15,16)12-2/h4-5,12H,3H2,1-2H3,(H2,11,14).
What are the key properties of 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide?
6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide has a molecular weight of 292.75 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide is sourced from PubChem (CID 174144489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).