Home Sulfos 3-amino-4-chloro-N-(2-iodo-5-methylphenyl)benzene-1-sulfonamide

3-amino-4-chloro-N-(2-iodo-5-methylphenyl)benzene-1-sulfonamide

CAS No.:
554405-05-9
Catalog Number:
AG019HXM
Molecular Formula:
C13H12ClIN2O2S
Molecular Weight:
422.6691
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Product Description
Catalog Number:
AG019HXM
Chemical Name:
3-amino-4-chloro-N-(2-iodo-5-methylphenyl)benzene-1-sulfonamide
CAS Number:
554405-05-9
Molecular Formula:
C13H12ClIN2O2S
Molecular Weight:
422.6691
MDL Number:
MFCD03965813
IUPAC Name:
3-amino-4-chloro-N-(2-iodo-5-methylphenyl)benzenesulfonamide
InChI:
InChI=1S/C13H12ClIN2O2S/c1-8-2-5-11(15)13(6-8)17-20(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,16H2,1H3
InChI Key:
QSZXYXBXFPMTNM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NS(=O)(=O)c1ccc(c(c1)N)Cl)I
Properties
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.935g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
422.665g/mol
Monoisotopic Mass:
421.935g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties