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Chemical ID: 6548683
Chemical ID:
6548683
Name [?]:
4-(diethylsulfamoyl)-N-(2-hydroxyethyl)benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCO
InChi [?]:
InChI=1/C13H20N2O4S/c1-3-15(4-2)20(18,19)12-7-5-11(6-8-12)13(17)14-9-10-16/h5-8,16H,3-4,9-10H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,13,10,14,18,19,12,9,15,17,3,20,16,7,8,6/E:(1,2)(3,4)(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCCNCCSOOCCCCCCCONCCO/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37566 |
Area: | 497.332 |
Solvation: | -4.05764 |
Coulombic: | -45.4181 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 300.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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