N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]benzenesulfonamide Trifluoroacetate

HCID 69014787
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Basic information

Standard SMILES
O=C(O)C(F)(F)F.O=S(=O)(Nc1cc2cc(c1)Nc1nc(ncc1Cl)Nc1cccc(c1)CC2)c1ccccc1
InChIKey
JNHBIKVPHZKLLB-UHFFFAOYSA-N
Molecular formula
C26H21ClF3N5O4S
Average molar mass
592 g/mol
Monoisotopic mass
591.0954875

Names & identifiers

Preferred name
N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]benzenesulfonamide Trifluoroacetate
IUPAC
N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaen-11-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid

Names & synonyms

N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]benzenesulfonamide TrifluoroacetateSCHEMBL4357036

Database identifiers

PubChem CID
69014787

Properties

Computed structural properties

Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
3
Heavy atoms
40

Related reactions

1 records
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Compound notes

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