Home Sulfos 4-carbamoyl-2-[3-(trifluoromethyl)benzenesulfonamido]butanoic acid

4-carbamoyl-2-[3-(trifluoromethyl)benzenesulfonamido]butanoic acid

CAS No.:
1008582-71-5
Catalog Number:
AG00H9CW
Molecular Formula:
C12H13F3N2O5S
Molecular Weight:
354.3022
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Product Description
Catalog Number:
AG00H9CW
Chemical Name:
4-carbamoyl-2-[3-(trifluoromethyl)benzenesulfonamido]butanoic acid
CAS Number:
1008582-71-5
Molecular Formula:
C12H13F3N2O5S
Molecular Weight:
354.3022
MDL Number:
MFCD05267034
IUPAC Name:
5-amino-5-oxo-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
InChI:
InChI=1S/C12H13F3N2O5S/c13-12(14,15)7-2-1-3-8(6-7)23(21,22)17-9(11(19)20)4-5-10(16)18/h1-3,6,9,17H,4-5H2,(H2,16,18)(H,19,20)
InChI Key:
DKNVCRCWOLHANY-UHFFFAOYSA-N
SMILES:
NC(=O)CCC(C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
544  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.05g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
354.3g/mol
Monoisotopic Mass:
354.05g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties