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70952-15-7 | N-[[2-CHLORO-1-(3-METHYLBENZOYL)INDOL-3-YL]METHYLIDENEAMINO]-4-METHYL-BENZENESULFONAMIDE
CAS No: 70952-15-7 Catalog No: AG005FKJ MDL No:
Product Description
Catalog Number:
AG005FKJ
Chemical Name:
N-[[2-CHLORO-1-(3-METHYLBENZOYL)INDOL-3-YL]METHYLIDENEAMINO]-4-METHYL-BENZENESULFONAMIDE
CAS Number:
70952-15-7
Molecular Formula:
C24H20ClN3O3S
Molecular Weight:
465.9519
IUPAC Name:
N-[[2-chloro-1-(3-methylbenzoyl)indol-3-yl]methylideneamino]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C24H20ClN3O3S/c1-16-10-12-19(13-11-16)32(30,31)27-26-15-21-20-8-3-4-9-22(20)28(23(21)25)24(29)18-7-5-6-17(2)14-18/h3-15,27H,1-2H3
InChI Key:
VOOOTPMGAPNBOK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NN=Cc1c2ccccc2n(c1Cl)C(=O)c1cccc(c1)C
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.091g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.952g/mol
Monoisotopic Mass:
465.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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