CAS
99522-32-4 Purity
96%
99522-32-4 Purity
96%
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3-Acetyl-1-(phenylsulfonyl)indole
CAS
99532-45-3
Catalog Number
ACM99532453
Category
Other Products
Molecular Weight
299.344320 [g/mol]
Molecular Formula
C16H13NO3S
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Specification
Synonyms
99532-45-3, 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-, 1-[1-(phenylsulfonyl)-1H-indol-3-yl]ethanone, AO-192/41883641, ZINC00382880, ACMC-20m2uj, AC1LI3ZT, SureCN949716, MLS000704562, CHEMBL1086026, CTK3G7447, MolPort-001-782-443, HMS2558H08, AKOS015964933, AG-I-01920, SMR000231760, 3-ACETYL-1-(PHENYLSULFONYL)INDOLE, 1-[1-(benzenesulfonyl)indol-3-yl]ethanone, 1-[1-(benzenesulfonyl)-1H-indol-3-yl]-ethanone
IUPAC Name
1-[1-(benzenesulfonyl)indol-3-yl]ethanone
Canonical SMILES
CC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3
InChI Key
BCTGWINDWUUVQL-UHFFFAOYSA-N
Exact Mass
299.06200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 848535?
The molecular formula is C16H13NO3S.
What are the synonyms of the compound with PubChem CID 848535?
The synonyms are 99532-45-3, 1-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanone, and 1-[1-(benzenesulfonyl)indol-3-yl]ethanone.
What is the molecular weight of the compound with PubChem CID 848535?
The molecular weight is 299.3 g/mol.
What is the IUPAC name of the compound with PubChem CID 848535?
The IUPAC name is 1-[1-(benzenesulfonyl)indol-3-yl]ethanone.
What is the InChIKey of the compound with PubChem CID 848535?
The InChIKey is BCTGWINDWUUVQL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound with PubChem CID 848535?
The Canonical SMILES is CC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.
What is the XLogP3 value of the compound with PubChem CID 848535?
The XLogP3 value is 3.2.
How many hydrogen bond acceptors are in the compound with PubChem CID 848535?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound with PubChem CID 848535?
The topological polar surface area is 64.5 Å^2.
Is the compound with PubChem CID 848535 canonicalized?
Yes, the compound is canonicalized.
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