4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-[(N-methyl)carbamoyl]piperazine trifluoroacetate

HCID 22709502
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Basic information

Standard SMILES
CNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.O=C(O)C(F)(F)F
InChIKey
NUSVJWVHWNIBHI-UHFFFAOYSA-N
Molecular formula
C18H19ClF3N3O5S
Average molar mass
481.9 g/mol
Monoisotopic mass
481.0686041

Names & identifiers

Preferred name
4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-[(N-methyl)carbamoyl]piperazine trifluoroacetate
IUPAC
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;2,2,2-trifluoroacetic acid

Names & synonyms

4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-[(N-methyl)carbamoyl]piperazine trifluoroacetateSCHEMBL6729111

Database identifiers

PubChem CID
22709502

Properties

Computed structural properties

Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
3
Heavy atoms
31

Related reactions

1 records
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Compound notes

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