Basic information
- CAS
380344-09-2- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(N)c(N)c2)cc1- InChIKey
VLJRZEZDHGBSPU-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.08341252
Names & identifiers
- Preferred name
- 3,4-diamino-N-(4-methoxyphenyl)benzene-1-sulfonamide
- IUPAC
- 3,4-diamino-N-(4-methoxyphenyl)benzenesulfonamide
Names & synonyms
3,4-diamino-N-(4-methoxyphenyl)benzene-1-sulfonamide380344-09-2RefChem:485828993-728-13,4-diamino-N-(4-methoxyphenyl)benzenesulfonamideAKOS000115484CS-0218908EN300-02430G21128Z56821813
Database identifiers
- CAS
380344-09-2- PubChem CID
- 3733147
- EC Number
- 993-728-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
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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