Basic information
- CAS
99532-45-3- Standard SMILES
CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12- InChIKey
BCTGWINDWUUVQL-UHFFFAOYSA-N- Molecular formula
- C16H13NO3S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.06161445
Names & identifiers
- Preferred name
- 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
- IUPAC
- 1-[1-(benzenesulfonyl)indol-3-yl]ethanone
- English name
- 3-Acetyl-1-(phenylsulfonyl)indole
- Molecular formula
- C16H13NO3S
- Molecular weight
- 299.34432
Names & synonyms
99532-45-31H-Indole, 3-acetyl-1-(phenylsulfonyl)-DTXSID40357247RefChem:238803DTXCID503083061-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanone1-[1-(phenylsulfonyl)-1H-indol-3-yl]ethanone1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-one1-[1-(benzenesulfonyl)indol-3-yl]ethanoneMLS000704562SMR0002317603-ACETYL-1-(PHENYLSULFONYL)INDOLE
Show more names
3-acetyl-1-benzenesulfonylindole
SCHEMBL949716cid_8485351-phenylsulfonyl-3-acetylindoleCHEMBL1086026SCHEMBL303936521-(1-besylindol-3-yl)ethanone3-acetyl-N-phenylsulfonyl indoleBDBM78674
Database identifiers
- CAS
99532-45-3- PubChem CID
- 848535
- DTXSID
DTXSID40357247- ChEMBL
CHEMBL1086026- Nikkaji
- J566.250H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 490
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
6 records
Compound notes
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