Home Sulfos 2-[4-(N-methylthiophene-2-sulfonamido)phenoxy]acetic acid

2-[4-(N-methylthiophene-2-sulfonamido)phenoxy]acetic acid

CAS No.:
380342-67-6
Catalog Number:
AG019GMO
Molecular Formula:
C13H13NO5S2
Molecular Weight:
327.3760
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Product Description
Catalog Number:
AG019GMO
Chemical Name:
2-[4-(N-methylthiophene-2-sulfonamido)phenoxy]acetic acid
CAS Number:
380342-67-6
Molecular Formula:
C13H13NO5S2
Molecular Weight:
327.3760
MDL Number:
MFCD02724577
IUPAC Name:
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetic acid
InChI:
InChI=1S/C13H13NO5S2/c1-14(21(17,18)13-3-2-8-20-13)10-4-6-11(7-5-10)19-9-12(15)16/h2-8H,9H2,1H3,(H,15,16)
InChI Key:
XFEPRFOTLGRMQL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)N(S(=O)(=O)c1cccs1)C
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.024g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.369g/mol
Monoisotopic Mass:
327.024g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties