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Chemical ID: 5180618
Chemical ID:
5180618
Name [?]:
N-(2-pyridyl)-3-(2-pyridylsulfamoyl)benzamide
SMILES [?]:
c1ccnc(c1)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccccn3
InChi [?]:
InChI=1/C17H14N4O3S/c22-17(20-15-8-1-3-10-18-15)13-6-5-7-14(12-13)25(23,24)21-16-9-2-4-11-19-16/h1-12H,(H,19,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,23,12,11,13,6,21,3,24,15,10,14,5,20,8,4,25,7,19,9,17,18,16/E:(23,24)/CRV:25.6/rA:25nCCCNCCNCOCCCCCCSOONCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;d16;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N4O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23397 |
Area: | 531.289 |
Solvation: | -5.04826 |
Coulombic: | -41.2351 |
Bond Count [?]
All: | 27 |
Single: | 15 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.384 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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