Basic information
- CAS
13269-73-3- Standard SMILES
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1- InChIKey
GLOOJKUWIGSFGC-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.05211239
Names & identifiers
- Preferred name
- p-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide
- IUPAC
- 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
- English name
- 3-Methyl-1-(4'-sulfoamidophenyl)-5-pyra&
- Molecular formula
- C10H11N3O3S
- Molecular weight
- 253.28
Names & synonyms
13269-73-3p-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamideEINECS 236-265-6DTXSID70157717RefChem:169260DTXCID4080208236-265-64-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide3-Methyl-1-(4'-sulfoamidophenyl)-5-pyrazolone4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamidebenzenesulfonamide, 4-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-MFCD00044062
Show more names
3-Methyl-1-(4'-sulfoamidophenyl)-5-pyra&1-(4'-Sulfamidophenyl)-3-methyl-5-pyrazolone3-METHYL-1-(4''-SULFOAMIDOPHENYL)-5-PYRAZOL ONE 95%4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonamide3-Methyl-1-(4′-sulfoamidophenyl)-5-pyrazolone, CAS 13269-73-34-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-yl)benzenesulfonamide
4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamideCambridge id 6702067Oprea1_708796Oprea1_7979374-(3-methyl-5-oxo-2-pyrazolinyl)benzenesulfonamideCHEMBL120268SCHEMBL2365087HMS1678J13
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 246 · 246-250 °C(lit.)
- Boiling point
- 527.1 · 527.1±52.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 10.14 · 10.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…