Basic information
- CAS
123664-98-2- Standard SMILES
COc1cc(NS(C)(=O)=O)c(Oc2ccccc2)cc1C(C)=O- InChIKey
YPJOAPMGRJDGJZ-UHFFFAOYSA-N- Molecular formula
- C16H17NO5S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.08274382
Names & identifiers
- Preferred name
- N-(4-Acetyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide
- IUPAC
- N-(4-acetyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide
- English name
- N-(4-Acetyl-5-methoxy-2-phenoxy-phenyl)-methanesulfonamide
- Molecular formula
- C16H17NO5S
- Molecular weight
- 335.37
Names & synonyms
N-(4-Acetyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide123664-98-2SCHEMBL10415838DTXSID60563368YPJOAPMGRJDGJZ-UHFFFAOYSA-NSB83390methyl 4-methylsulfonylamino-2-methoxy-5-phenoxyphenyl ketone2-methoxy-4-methanesulfonylamino-5-PhenoxyacetophenoneN-(4-Acetyl-5-methoxy-2-phenoxy-phenyl)-methanesulfonamideMethanesulfonamide, N-(4-acetyl-5-methoxy-2-phenoxyphenyl)-
Database identifiers
- CAS
123664-98-2- PubChem CID
- 14722293
- DTXSID
DTXSID60563368
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 482 · 482.0±55.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 6.6 · 6.60±0.10(Predicted)
Chemistry & industry
Suppliers10 total
常州佳德医药科技有限公司18006124028 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海乔木化学科技有限公司021-60451683 15001705751 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
4 records
Compound notes
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