N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride

C6H9ClN4O5S — CID 11822190

IUPACN-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
SMILESCCOc1nn(C(=O)NS(=O)(=O)Cl)c(=O)n1C
InChIInChI=1S/C6H9ClN4O5S/c1-3-16-5-8-11(6(13)10(5)2)4(12)9-17(7,14)15/h3H2,1-2H3,(H,9,12)
InChIKeyKYPXJPBXNBRSRO-UHFFFAOYSA-N
MW284.68 g/mol
LogP-0.98
Rot. Bonds3

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

N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride (PubChem CID 11822190) has the molecular formula C6H9ClN4O5S and a molecular weight of 284.68 g/mol. Its IUPAC name is N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
PubChem CID11822190
Molecular FormulaC6H9ClN4O5S
Molecular Weight284.68 g/mol
Exact Mass284.00
IUPAC NameN-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
SMILESCCOc1nn(C(=O)NS(=O)(=O)Cl)c(=O)n1C
InChIInChI=1S/C6H9ClN4O5S/c1-3-16-5-8-11(6(13)10(5)2)4(12)9-17(7,14)15/h3H2,1-2H3,(H,9,12)
InChIKeyKYPXJPBXNBRSRO-UHFFFAOYSA-N
XLogP-0.98
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The IUPAC name of N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride (CID 11822190) is N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride.
What is the SMILES notation for N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The canonical SMILES for N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride is CCOc1nn(C(=O)NS(=O)(=O)Cl)c(=O)n1C.
What is the InChIKey of N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
The InChIKey is KYPXJPBXNBRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O5S/c1-3-16-5-8-11(6(13)10(5)2)4(12)9-17(7,14)15/h3H2,1-2H3,(H,9,12).
What are the key properties of N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride?
N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride has a molecular weight of 284.68 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride is sourced from PubChem (CID 11822190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).