1H-Indole, 3-acetyl-1-(phenylsulfonyl)-

HCID 848535

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

Chemistry & industry

Upstream & 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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