4-[(1H-1,2,4-triazol-1-yl)methyl]benzene-1-sulfonamide
Basic information
- CAS
1099632-71-9- Standard SMILES
NS(=O)(=O)c1ccc(Cn2cncn2)cc1- InChIKey
FWZBTYAIDBGHFJ-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2S
- Average molar mass
- 238.27 g/mol
- Monoisotopic mass
- 238.05244675
Names & identifiers
- Preferred name
- 4-[(1H-1,2,4-triazol-1-yl)methyl]benzene-1-sulfonamide
- IUPAC
- 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
Names & synonyms
1099632-71-94-[(1H-1,2,4-triazol-1-yl)methyl]benzene-1-sulfonamide4-((1H-1,2,4-triazol-1-yl)methyl)benzene-1-sulfonamideRefChem:508829996-893-84-((1H-1,2,4-Triazol-1-yl)methyl)benzenesulfonamide4-(1h-1,2,4-triaZol-1-ylmethyl)benzene-1-sulfonamide4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamidestarbld0030857ZTB63271CS-0244110EN300-272026
Database identifiers
- CAS
1099632-71-9- PubChem CID
- 43363702
- EC Number
- 996-893-8
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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