4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
Basic information
- CAS
955-15-7- Standard SMILES
Cc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1- InChIKey
BJJWJFXXXQZNIU-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.07284784
Names & identifiers
- Preferred name
- 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
- IUPAC
- 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
- English name
- 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZENESULFONAMIDE
- Molecular formula
- C11H13N3O2S
- Molecular weight
- 251.3
Names & synonyms
955-15-74-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamideDTXSID90351654RefChem:512902DTXCID70302720107-428-84-(3,5-Dimethyl-pyrazol-1-yl)-benzenesulfonamide4-(3,5-dimethyl-1h-pyrazol-1-yl)benzenesulfonamide4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamideMFCD00206073LeadQuest Compound 1Maybridge3_000577
Show more names
Benzenesulfonamide, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-
Cambridge id 67796094-(3,5-Dimethyl-pyrazol-1-yl)benzenesulfonamideOprea1_064453Oprea1_467430CHEMBL332783SCHEMBL5698738BDBM13067HMS1432K05
Database identifiers
- CAS
955-15-7- PubChem CID
- 706169
- DTXSID
DTXSID90351654- ChEMBL
CHEMBL332783- EC Number
- 107-428-8
- Nikkaji
- J1.500.388J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
- InChIKey
- BJJWJFXXXQZNIU-UHFFFAOYSA-N
- SMILES
- Cc1cc(C)n(n1)-c2ccc(cc2)S(N)(=O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…