5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride

C10H13ClN2O4S — CID 18756174

IUPAC5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride
SMILESCCOc1ncc(S(=O)(=O)N(C)C)cc1C(=O)Cl
InChIInChI=1S/C10H13ClN2O4S/c1-4-17-10-8(9(11)14)5-7(6-12-10)18(15,16)13(2)3/h5-6H,4H2,1-3H3
InChIKeyQGXJOUJZASIOBL-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.11
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride

5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride (PubChem CID 18756174) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride
PubChem CID18756174
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride
SMILESCCOc1ncc(S(=O)(=O)N(C)C)cc1C(=O)Cl
InChIInChI=1S/C10H13ClN2O4S/c1-4-17-10-8(9(11)14)5-7(6-12-10)18(15,16)13(2)3/h5-6H,4H2,1-3H3
InChIKeyQGXJOUJZASIOBL-UHFFFAOYSA-N
XLogP1.11
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride?
The IUPAC name of 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride (CID 18756174) is 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride is CCOc1ncc(S(=O)(=O)N(C)C)cc1C(=O)Cl.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride?
The InChIKey is QGXJOUJZASIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-4-17-10-8(9(11)14)5-7(6-12-10)18(15,16)13(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride?
5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride has a molecular weight of 292.74 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride is sourced from PubChem (CID 18756174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).