Chemical ID: 4457236

CN(CC(=O)O)S(=O)(=O)c1cc(ccc1Cl)Cl
Chemical ID:
4457236
Name [?]:
2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]acetic acid
SMILES [?]:
CN(CC(=O)O)S(=O)(=O)c1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C9H9Cl2NO4S/c1-12(5-9(13)14)17(15,16)8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,14,11,3,12,15,10,4,17,16,2,5,6,8,9,7/E:(13,14)(15,16)/CRV:17.6/rA:17cCNCCOOSOOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s2;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9Cl2NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.1505
Area:431.623
Solvation:-3.64008
Coulombic:-33.1428
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.143
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):1.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue