Home Sulfos 5-acetamido-2-methanesulfonamidobenzoic acid

5-acetamido-2-methanesulfonamidobenzoic acid

CAS No.:
1016675-55-0
Catalog Number:
AG01AA81
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
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Product Description
Catalog Number:
AG01AA81
Chemical Name:
5-acetamido-2-methanesulfonamidobenzoic acid
CAS Number:
1016675-55-0
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
MDL Number:
MFCD09812341
IUPAC Name:
5-acetamido-2-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C10H12N2O5S/c1-6(13)11-7-3-4-9(12-18(2,16)17)8(5-7)10(14)15/h3-5,12H,1-2H3,(H,11,13)(H,14,15)
InChI Key:
VQEJIWHHKQFWPB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.047g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
272.275g/mol
Monoisotopic Mass:
272.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties