N-(2-adamantyl)benzenesulfonamide
Basic information
- CAS
6517-14-2- Standard SMILES
O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1- InChIKey
WHRWSFFVIWORSH-UHFFFAOYSA-N- Molecular formula
- C16H21NO2S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.12930009
Names & identifiers
- Preferred name
- N-(2-adamantyl)benzenesulfonamide
- IUPAC
- N-(2-adamantyl)benzenesulfonamide
- English name
- N-(1-AdaMantanyl)benzenesulfonaMide, 97%
- Molecular formula
- C17H19NO2S2
- Molecular weight
- 333.47
Names & synonyms
N-(2-adamantyl)benzenesulfonamide6517-14-2DTXSID10410232RefChem:360410DTXCID20361084MLS001360313CHEMBL1885408SCHEMBL13538399adamantan-2-yl(phenylsulfonyl)amineSTK215385AKOS003269561CCG-324087
Show more names
N-(1-AdaMantanyl)benzenesulfonaMide, 97%Benzenesulfonamide, N-(3,4-dihydro-3-methyl-2H-1-benzothiopyran-4-yl)-4-methyl-
SMR001224102ST079552N-(ADAMANTAN-2-YL)BENZENESULFONAMIDEN-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzenesulfonamide
Database identifiers
- CAS
6517-14-2- PubChem CID
- 5210992
- DTXSID
DTXSID10410232- ChEMBL
CHEMBL1885408
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility23.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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