Home Sulfos 4-(4'-Methoxybenzenesulfonylamino)benzoic acid

4-(4'-Methoxybenzenesulfonylamino)benzoic acid

CAS No.:
63421-69-2
Catalog Number:
AG00EAOD
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$130
- +
5g
98%
1 week
United States
$313
- +
25g
98%
1 week
United States
$1138
- +
Product Description
Catalog Number:
AG00EAOD
Chemical Name:
4-(4'-Methoxybenzenesulfonylamino)benzoic acid
CAS Number:
63421-69-2
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
MDL Number:
MFCD00625670
IUPAC Name:
4-[(4-methoxyphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H13NO5S/c1-20-12-6-8-13(9-7-12)21(18,19)15-11-4-2-10(3-5-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
MSMKGVOKGQWPCH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
4-(4-Meth-oxy-benzene-sulfonamido)-benzoic acid. Acta crystallographica. Section E, Structure reports online 20110701
Properties