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88914-34-5 | N-(4-((3-CHLORO-9-ACRIDINYL)AMINO)-3-(DIMETHYLAMINO)PHENYL)METHANESULFONAMIDE
CAS No: 88914-34-5 Catalog No: AG0048R8 MDL No:
Product Description
Catalog Number:
AG0048R8
Chemical Name:
N-(4-((3-CHLORO-9-ACRIDINYL)AMINO)-3-(DIMETHYLAMINO)PHENYL)METHANESULFONAMIDE
CAS Number:
88914-34-5
Molecular Formula:
C22H21ClN4O2S
Molecular Weight:
440.9457
IUPAC Name:
N-[4-[(3-chloroacridin-9-yl)amino]-3-(dimethylamino)phenyl]methanesulfonamide
InChI:
InChI=1S/C22H21ClN4O2S/c1-27(2)21-13-15(26-30(3,28)29)9-11-19(21)25-22-16-6-4-5-7-18(16)24-20-12-14(23)8-10-17(20)22/h4-13,26H,1-3H3,(H,24,25)
InChI Key:
GPPJQBFHHZZIDR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc1c(c2Nc2ccc(cc2N(C)C)NS(=O)(=O)C)cccc1
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.107g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.946g/mol
Monoisotopic Mass:
440.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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