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SR9243

CAT: 0127-BUP09680-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09680-01Size:5 mg
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CAS Number
1613028-81-1
Purity
=98%
Smiles
Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCc1cccc(Br)c1)Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O

Chemical Information

SR9243

SR9243 is a sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. It has a role as an antineoplastic agent, an apoptosis inducer and a liver X receptor inverse agonist. It is a sulfonamide, a sulfone and a member of bromobenzenes.

CAS Number1613028-81-1
PubChem CID76073169
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]benzenesulfonamide
Molecular FormulaC31H32BrNO4S2
Molecular Weight626.6
XLogP7.2
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity971
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C
InChI
InChI=1S/C31H32BrNO4S2/c1-22-17-23(2)31(24(3)18-22)39(36,37)33(16-15-25-7-5-9-29(32)19-25)21-26-11-13-27(14-12-26)28-8-6-10-30(20-28)38(4,34)35/h5-14,17-20H,15-16,21H2,1-4H3
InChIKey
FYQFEJFTCLKXTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR9243
CAS: 1613028-81-1
CID: 76073169
Formula: C31H32BrNO4S2
MW: 626.6
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight626.6
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass625.09561
Monoisotopic Mass625.09561
Topological Polar Surface Area88.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A15535-5SR9243 5mg
A15535-100SR9243 100mg

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