Home Sulfos [(4-Acetylamino-benzenesulfonyl)-methyl-amino]-acetic acid

[(4-Acetylamino-benzenesulfonyl)-methyl-amino]-acetic acid

CAS No.:
99842-24-7
Catalog Number:
AG003W1B
Molecular Formula:
C11H14N2O5S
Molecular Weight:
286.3043
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Product Description
Catalog Number:
AG003W1B
Chemical Name:
[(4-Acetylamino-benzenesulfonyl)-methyl-amino]-acetic acid
CAS Number:
99842-24-7
Molecular Formula:
C11H14N2O5S
Molecular Weight:
286.3043
MDL Number:
MFCD03987301
IUPAC Name:
2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid
InChI:
InChI=1S/C11H14N2O5S/c1-8(14)12-9-3-5-10(6-4-9)19(17,18)13(2)7-11(15)16/h3-6H,7H2,1-2H3,(H,12,14)(H,15,16)
InChI Key:
XSIMQRXFVODVTO-UHFFFAOYSA-N
SMILES:
OC(=O)CN(S(=O)(=O)c1ccc(cc1)NC(=O)C)C
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.062g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.302g/mol
Monoisotopic Mass:
286.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties