Home Sulfos 2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid

2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid

CAS No.:
701275-61-8
Catalog Number:
AG00IC0R
Molecular Formula:
C14H11N3O5S
Molecular Weight:
333.3192
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Product Description
Catalog Number:
AG00IC0R
Chemical Name:
2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid
CAS Number:
701275-61-8
Molecular Formula:
C14H11N3O5S
Molecular Weight:
333.3192
MDL Number:
MFCD03955550
IUPAC Name:
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H11N3O5S/c18-13(19)9-3-1-2-4-10(9)17-23(21,22)8-5-6-11-12(7-8)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChI Key:
PYZGHELWFCMXSN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.042g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
333.318g/mol
Monoisotopic Mass:
333.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties