Chemical ID: 6141135

Cc1ccc(cc1C(=O)O)S(=O)(=O)N(C)CCO
Chemical ID:
6141135
Name [?]:
5-(2-hydroxyethyl-methyl-sulfamoyl)-2-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1C(=O)O)S(=O)(=O)N(C)CCO
InChi [?]:
InChI=1/C11H15NO5S/c1-8-3-4-9(7-10(8)11(14)15)18(16,17)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,3,4,16,17,6,2,5,7,8,14,18,9,10,12,13,11/E:(14,15)(16,17)/CRV:18.6/rA:18cCCCCCCCCOOSOONCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;s14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.03858
Area:429.402
Solvation:-3.69647
Coulombic:-50.8081
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.307
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.45
LogP (Chemaxon):0.71

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