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Chemical ID: 7177564
Chemical ID:
7177564
Name [?]:
4-amino-N-(4-pyridyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1N)S(=O)(=O)Nc2ccncc2
InChi [?]:
InChI=1/C11H11N3O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,17,14,16,6,12,3,7,15,11,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCCCCCCNSOONCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47111 |
Area: | 403.491 |
Solvation: | -2.61617 |
Coulombic: | -32.312 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.29 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.15 |
LogP (Chemaxon): | -1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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