Basic information
- CAS
52298-44-9- Standard SMILES
COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N- InChIKey
NFYQAEPHDGXJSY-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.08307799
Names & identifiers
- Preferred name
- 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
- IUPAC
- 4-amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
- English name
- 4-Amino-2,5-dimethoxy-N-phenylbenzenesulphonamide
- Molecular formula
- C14H16N2O4S
- Molecular weight
- 308.35
Names & synonyms
52298-44-94-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamideDTXSID2044686EINECS 257-821-4UNII-54S41P93BIBenzenesulfonamide, 4-amino-2,5-dimethoxy-N-phenyl-54S41P93BIDTXCID0024686EC 257-821-42,5-DIMETHOXYSULFANILANILIDESULFANILANILIDE, 2,5-DIMETHOXY-2,5-DIMETHOXYSULFANILIC ACID ANILIDE
Show more names
FGL BASE4-Amino-2,5-dimethoxy-N-phenyL2,5-dimethoxyaniline-4-sulphonamide2,5-Dimethoxyaniline-4-Sulfoanilide2,5-Dimethoxyaniline-4-Suphonanilide2,5-DIMETHOXYANILINE-4-SULFONANILIDE2,5-DIMETHOXY-N'-PHENYLSULFANILAMIDE4-AMINO-2,5-DIMETHOXYBENZENESULFONANILIDE
4-(ANILINOSULFONYL)-2,5-DIMETHOXYANILINERefChem:97681257-821-44-Amino-2,5-dimethoxy-N-phenylbenzenesulphonamideMFCD000257534-amino-2,5-dimethoxy-N-phenylbenzene-1-sulfonamide4-Amino-2,5-dimethoxy-N-phenylsulfonamide4-AMINO-2,5-DIMETHOXY-N-PHENYL-BENZENESULFONAMIDE
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Collision Cross Section169.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044686]
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 520.1 · 520.1±60.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 8.9 · 8.90±0.10(Predicted)
- form
- Solid
- color
- White to Almost white
- LogP
- 1.81 at · 1.81 at 23℃ and pH7
- CAS DataBase Reference
- 52298 · 52298-44-9(CAS DataBase Reference)
- FDA UNII
- 54 S41P93BI · 54S41P93BI
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-phenyl- (52298-44-9)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 04-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/5217
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2922.29.8190
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-amino-2,5-dimethoxy-N-phenyl-: ACTIVE
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD
Related reactions
2 records
Compound notes
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