Home Sulfos N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine

N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine

CAS No.:
1009715-74-5
Catalog Number:
AG00902Q
Molecular Formula:
C17H18ClNO5S2
Molecular Weight:
415.9115
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Product Description
Catalog Number:
AG00902Q
Chemical Name:
N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine
CAS Number:
1009715-74-5
Molecular Formula:
C17H18ClNO5S2
Molecular Weight:
415.9115
MDL Number:
MFCD03619097
IUPAC Name:
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C17H18ClNO5S2/c1-25-11-10-15(17(20)21)19-26(22,23)13-8-6-12(7-9-13)24-16-5-3-2-4-14(16)18/h2-9,15,19H,10-11H2,1H3,(H,20,21)
InChI Key:
VVLBKESFOSFQRN-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1Cl
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.031g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
415.903g/mol
Monoisotopic Mass:
415.031g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties