4-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide

HCID 59837620

Basic information

Standard SMILES
Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12
InChIKey
TUMITOMFWDJDDQ-UHFFFAOYSA-N
Molecular formula
C27H28Cl2N6O2S
Average molar mass
571.5 g/mol
Monoisotopic mass
570.1371507

Names & identifiers

Preferred name
4-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
IUPAC
4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Names & synonyms

SCHEMBL4269156CHEMBL3651268BDBM97948TUMITOMFWDJDDQ-UHFFFAOYSA-NUS8481536, 5284-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide

Database identifiers

PubChem CID
59837620
ChEMBL
CHEMBL3651268

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
99.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

Related reactions

3 records

Compound notes

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