Home Sulfos 4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid

4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid

CAS No.:
771499-99-1
Catalog Number:
AG019JUL
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
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Product Description
Catalog Number:
AG019JUL
Chemical Name:
4-[4-(1-hydroxyethyl)benzenesulfonamido]benzoic acid
CAS Number:
771499-99-1
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD06347937
IUPAC Name:
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H15NO5S/c1-10(17)11-4-8-14(9-5-11)22(20,21)16-13-6-2-12(3-7-13)15(18)19/h2-10,16-17H,1H3,(H,18,19)
InChI Key:
UEQADXFKBJNFCS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O)O
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties