2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide

C5H7ClN4O2S — CID 107652546

IUPAC2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1nccnn1
InChIInChI=1S/C5H7ClN4O2S/c6-1-4-13(11,12)10-5-7-2-3-8-9-5/h2-3H,1,4H2,(H,7,9,10)
InChIKeyZQUCOCDHEAGNRE-UHFFFAOYSA-N
MW222.66 g/mol
LogP-0.15
Rot. Bonds4

About 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide

2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide (PubChem CID 107652546) has the molecular formula C5H7ClN4O2S and a molecular weight of 222.66 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide
PubChem CID107652546
Molecular FormulaC5H7ClN4O2S
Molecular Weight222.66 g/mol
Exact Mass222.00
IUPAC Name2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1nccnn1
InChIInChI=1S/C5H7ClN4O2S/c6-1-4-13(11,12)10-5-7-2-3-8-9-5/h2-3H,1,4H2,(H,7,9,10)
InChIKeyZQUCOCDHEAGNRE-UHFFFAOYSA-N
XLogP-0.15
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.66
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389018
4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 114142213
1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387248
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388868
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387082
2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389146
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386905
5-chloro-6-hydrazinyl-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114388272
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide (CID 107652546) is 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide is O=S(=O)(CCCl)Nc1nccnn1.
What is the InChIKey of 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
The InChIKey is ZQUCOCDHEAGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O2S/c6-1-4-13(11,12)10-5-7-2-3-8-9-5/h2-3H,1,4H2,(H,7,9,10).
What are the key properties of 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide?
2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide has a molecular weight of 222.66 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-triazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 107652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).