Basic information
- CAS
2815-50-1- Standard SMILES
COc1ccc(S(=O)(=O)Cc2ccccc2)cc1N- InChIKey
XTTHAADPPZNOBT-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- 5-Benzylsulphonyl-o-anisidine
- IUPAC
- 5-benzylsulfonyl-2-methoxyaniline
- English name
- 5-Benzylsulfonyl-2-methoxy-aniline
- Molecular formula
- C14H15NO3S
- Molecular weight
- 277.34
Names & synonyms
2815-50-15-Benzylsulphonyl-o-anisidine2-Methoxy-5-phenylmethanesulfonyl-phenylamine5-benzylsulfonyl-2-methoxyaniline2-methoxy-5-phenylmethanesulfonylaniline5-(benzylsulfonyl)-2-methoxyaniline8VT5CRN4SN5-Benzylsulfonyl-o-anisidine2-Methoxy-5-[(phenylmethyl)sulfonyl]benzenamine2-METHOXY-5-((PHENYLMETHYL)SULFONYL)BENZENAMINEo-Anisidine, 5-(benzylsulfonyl)-EINECS 220-563-8
Show more names
C.I.37145(base)Azoic DC 31(base)fast scarlet LG base2-amino-4-benzylsulfonylanisole5-benzylsulfonyl-2-methoxy-anilineC.I.Azoic Diazo Component 31(base)5-(Benzylsulfonyl)-o-anisidine (NH2=1)Benzyl(3-amino-4-methoxyphenyl) sulfone(3-Amino-4-methoxyphenyl)benzyl sulfone
UNII-8VT5CRN4SNMLS000068137Benzenamine, 2-methoxy-5-((phenylmethyl)sulfonyl)-SCHEMBL3313738CHEMBL1402259DTXSID50182421XTTHAADPPZNOBT-UHFFFAOYSA-NHMS2401P04
Database identifiers
- CAS
2815-50-1- PubChem CID
- 76059
- DTXSID
DTXSID50182421- ChEMBL
CHEMBL1402259- UNII
- 8VT5CRN4SN
- EC Number
- 220-563-8
- Nikkaji
- J64.475G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- FDA UNII
- 8 VT5CRN4SN · 8VT5CRN4SN
Chemistry & industry
Suppliers7 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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