N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride

C5H6Cl2N4O4S — CID 89359872

IUPACN-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
SMILESCCn1c(Cl)nn(C(=O)NS(=O)(=O)Cl)c1=O
InChIInChI=1S/C5H6Cl2N4O4S/c1-2-10-3(6)8-11(5(10)13)4(12)9-16(7,14)15/h2H2,1H3,(H,9,12)
InChIKeyOWGOEKZOFRAUTH-UHFFFAOYSA-N
MW289.10 g/mol
LogP-0.24
Rot. Bonds2

About N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride

N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride (PubChem CID 89359872) has the molecular formula C5H6Cl2N4O4S and a molecular weight of 289.10 g/mol. Its IUPAC name is N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
PubChem CID89359872
Molecular FormulaC5H6Cl2N4O4S
Molecular Weight289.10 g/mol
Exact Mass287.95
IUPAC NameN-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
SMILESCCn1c(Cl)nn(C(=O)NS(=O)(=O)Cl)c1=O
InChIInChI=1S/C5H6Cl2N4O4S/c1-2-10-3(6)8-11(5(10)13)4(12)9-16(7,14)15/h2H2,1H3,(H,9,12)
InChIKeyOWGOEKZOFRAUTH-UHFFFAOYSA-N
XLogP-0.24
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The IUPAC name of N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride (CID 89359872) is N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride.
What is the SMILES notation for N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The canonical SMILES for N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride is CCn1c(Cl)nn(C(=O)NS(=O)(=O)Cl)c1=O.
What is the InChIKey of N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The InChIKey is OWGOEKZOFRAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4O4S/c1-2-10-3(6)8-11(5(10)13)4(12)9-16(7,14)15/h2H2,1H3,(H,9,12).
What are the key properties of N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride has a molecular weight of 289.10 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride is sourced from PubChem (CID 89359872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).