1-(2-Naphthylsulfonyl)proline

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Basic information

Standard SMILES: O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIKey: GVNYVKRDASNULU-UHFFFAOYSA-N
Molecular formula: C15H15NO4S
Average molar mass: 305.4 g/mol
Monoisotopic mass: 305.07217913

Names & identifiers

Preferred name: 1-(2-Naphthylsulfonyl)proline
IUPAC: 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid

Names & synonyms

1-(2-naphthylsulfonyl)proline518306-15-5MFCD010806921-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid(Naphthalen-2-ylsulfonyl)prolineproline, 1-(2-naphthalenylsulfonyl)-SMR0000147791-(NAPHTHALENE-2-SULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid1-(Naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid(S)-1-(Naphthalen-2-ylsulfonyl)pyrrolidine-2-carboxylic acidOprea1_358913

Show more names

Oprea1_746754(2S)-1-(naphthalene-2-sulfonyl)pyrrolidine-2-carboxylic acidMLS000075864MLS002539292SCHEMBL2100435CHEMBL1556685SCHEMBL30919357HMS1689P17

Database identifiers

PubChem CID: 649141
ChEMBL: CHEMBL1556685

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 498

Related reactions

1 records

New reaction record

HRID 821816As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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