Home Other Building Blocks 3-[(1-phenylethyl)sulfamoyl]benzoic acid

3-[(1-phenylethyl)sulfamoyl]benzoic acid

CAS No.:
790681-77-5
Catalog Number:
AG019NKZ
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
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Product Description
Catalog Number:
AG019NKZ
Chemical Name:
3-[(1-phenylethyl)sulfamoyl]benzoic acid
CAS Number:
790681-77-5
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD06358667
IUPAC Name:
3-(1-phenylethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C15H15NO4S/c1-11(12-6-3-2-4-7-12)16-21(19,20)14-9-5-8-13(10-14)15(17)18/h2-11,16H,1H3,(H,17,18)
InChI Key:
KNUYAGSTPJYRSY-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)NS(=O)(=O)c1cccc(c1)C(=O)O
NSC Number:
85455
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties