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Chemical ID: 5027263
Chemical ID:
5027263
Name [?]:
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILES [?]:
CCCc1nnc(s1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C11H13N3O2S2/c1-2-6-10-12-13-11(17-10)14-18(15,16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,3,14,18,13,4,7,5,6,9,11,12,8,10/E:(4,5)(7,8)(15,16)/CRV:18.6/rA:18nCCCCNNCSNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O2S2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32432 |
Area: | 457.796 |
Solvation: | -2.12058 |
Coulombic: | -17.876 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.05 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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