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Chemical ID: 4982535
Chemical ID:
4982535
Name [?]:
4-methyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)-benzenesulfonamide
SMILES [?]:
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C12H15N3O3S/c1-3-4-11-13-14-12(18-11)15-19(16,17)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,19,2,3,15,17,14,18,16,13,4,7,5,6,9,11,12,8,10/E:(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCCCCNNCONSOOCCCCCCC/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: | C12H15N3O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63995 |
Area: | 464.725 |
Solvation: | -1.97817 |
Coulombic: | -27.6806 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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