Chemical ID: 5078371

CCN(CCO)S(=O)(=O)c1cccc(c1)C(=O)O
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

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