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56187-04-3 | 4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide
CAS No: 56187-04-3 Catalog No: AG003SH1 MDL No:MFCD00015623
Product Description
Catalog Number:
AG003SH1
Chemical Name:
4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide
CAS Number:
56187-04-3
Molecular Formula:
C25H31N3O6S3
Molecular Weight:
565.7251
MDL Number:
MFCD00015623
IUPAC Name:
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
InChI:
InChI=1S/C25H31N3O6S3/c1-20-4-10-23(11-5-20)35(29,30)26-16-18-28(37(33,34)25-14-8-22(3)9-15-25)19-17-27-36(31,32)24-12-6-21(2)7-13-24/h4-15,26-27H,16-19H2,1-3H3
InChI Key:
OCDIAWYQMCPHAM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(CCNS(=O)(=O)c1ccc(cc1)C)CCNS(=O)(=O)c1ccc(cc1)C
EC Number:
413-300-5
Properties
Complexity:
949
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.137g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
565.718g/mol
Monoisotopic Mass:
565.137g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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