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205642-00-8 | N,4-Dimethyl-N-[2-(4-methylbenzenesulfonamido)phenyl]benzene-1-sulfonamide
CAS No: 205642-00-8 Catalog No: AG01F4JJ MDL No:MFCD00835224
Product Description
Catalog Number:
AG01F4JJ
Chemical Name:
N,4-Dimethyl-N-[2-(4-methylbenzenesulfonamido)phenyl]benzene-1-sulfonamide
CAS Number:
205642-00-8
Molecular Formula:
C21H22N2O4S2
Molecular Weight:
430.5404
MDL Number:
MFCD00835224
IUPAC Name:
4-methyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
InChI:
InChI=1S/C21H22N2O4S2/c1-16-8-12-18(13-9-16)28(24,25)22-20-6-4-5-7-21(20)23(3)29(26,27)19-14-10-17(2)11-15-19/h4-15,22H,1-3H3
InChI Key:
CKQAOCCENRDMQD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.537g/mol
Monoisotopic Mass:
430.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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