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Chemical ID: 6141135
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
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Experimental Annotations
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Descriptor Annotations
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