Basic information
- CAS
50998-74-8- Standard SMILES
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1- InChIKey
PNBYWOIWUKQGPR-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217913
Names & identifiers
- Preferred name
- 2-(Toluene-4-sulfonylamino)-benzoic acid methyl ester
- IUPAC
- methyl 2-[(4-methylphenyl)sulfonylamino]benzoate
- English name
- 2-[[(4-Methylphenyl)sulfonyl]amino]benzoic acid methyl ester
- Molecular formula
- C15H15NO4S
- Molecular weight
- 305.35
Names & synonyms
50998-74-82-(Toluene-4-sulfonylamino)-benzoic acid methyl estermethyl 2-(4-methylphenylsulfonamido)benzoate2-[[(4-Methylphenyl)sulfonyl]amino]benzoic acid methyl esterMFCD00418641methyl 2-[(4-methylphenyl)sulfonylamino]benzoatemethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoateMETHYL 2-[[(4-METHYLPHENYL)SULFONYL]AMINO]BENZOATE2-(((4-methylphenyl)sulfonyl)amino)benzoic acid methyl estermethyl 2-(p-tolylsulfonylamino)benzoateSCHEMBL1495939DTXSID80353268
Show more names
Methyl 2-(p-toluenesulfonylamino)benzoate2-Methoxycarbonylphenyl toluenesulfonamide2-(Toluene-4-Sulfonylamino)-Benzoic Acid Methyl Ester(WXC02960)Benzoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester
PNBYWOIWUKQGPR-UHFFFAOYSA-NSTK412548AKOS000395053Methyl 2-(p-toluenesulfonamido)benzoateAS-40201methyl2-(4-methylphenylsulfonamido)benzoateCS-0036619EU-0039799
Database identifiers
- CAS
50998-74-8- PubChem CID
- 737605
- DTXSID
DTXSID80353268- EC Number
- 610-595-4
- Nikkaji
- J866.852C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 115 · 115-116℃
- Density
- 1.31 · 1.31
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
10 records
Compound notes
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