Home Other Building Blocks 3-[(carbamoylmethyl)sulfamoyl]benzoic acid

3-[(carbamoylmethyl)sulfamoyl]benzoic acid

CAS No.:
848290-20-0
Catalog Number:
AG019OE7
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
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Product Description
Catalog Number:
AG019OE7
Chemical Name:
3-[(carbamoylmethyl)sulfamoyl]benzoic acid
CAS Number:
848290-20-0
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
MDL Number:
MFCD07323902
IUPAC Name:
3-[(2-amino-2-oxoethyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C9H10N2O5S/c10-8(12)5-11-17(15,16)7-3-1-2-6(4-7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)
InChI Key:
OPIMWHAHDWKFAP-UHFFFAOYSA-N
SMILES:
NC(=O)CNS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties