Home Other Building Blocks 1-(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)CYCLOHEXANECARBOXYLIC ACID

1-(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)CYCLOHEXANECARBOXYLIC ACID

CAS No.:
885268-82-6
Catalog Number:
AG00H1Q2
Molecular Formula:
C19H20ClNO5S
Molecular Weight:
409.8838
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Product Description
Catalog Number:
AG00H1Q2
Chemical Name:
1-(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)CYCLOHEXANECARBOXYLIC ACID
CAS Number:
885268-82-6
Molecular Formula:
C19H20ClNO5S
Molecular Weight:
409.8838
MDL Number:
MFCD06409356
IUPAC Name:
1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C19H20ClNO5S/c20-16-6-2-3-7-17(16)26-14-8-10-15(11-9-14)27(24,25)21-19(18(22)23)12-4-1-5-13-19/h2-3,6-11,21H,1,4-5,12-13H2,(H,22,23)
InChI Key:
ZBWZAQPUUFCPLM-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1Cl
Properties
Complexity:
606  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.075g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
409.881g/mol
Monoisotopic Mass:
409.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties