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Chemical ID: 5078371
Chemical ID:
5078371
Name [?]:
3-(ethyl-(2-hydroxyethyl)sulfamoyl)benzoic acid
SMILES [?]:
CCN(CCO)S(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C11H15NO5S/c1-2-12(6-7-13)18(16,17)10-5-3-4-9(8-10)11(14)15/h3-5,8,13H,2,6-7H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,4,5,15,14,10,16,3,6,17,18,8,9,7/E:(14,15)(16,17)/CRV:18.6/rA:18cCCNCCOSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s3;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO5S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.16421 |
Area: | 434.754 |
Solvation: | -4.70465 |
Coulombic: | -49.5994 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.44 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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