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Chemical ID: 7094206
Chemical ID:
7094206
Name [?]:
4-amino-N-(5-ethoxy-1,3,4-oxadiazol-2-yl)-benzenesulfonamide
SMILES [?]:
CCOc1nnc(o1)NS(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C10H12N4O4S/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,15,17,14,18,16,13,7,4,19,6,5,9,11,12,3,8,10/E:(3,4)(5,6)(15,16)/CRV:19.6/rA:19nCCOCNNCONSOOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N4O4S |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63407 |
Area: | 454.794 |
Solvation: | -2.73579 |
Coulombic: | -54.6221 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.293 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.64 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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