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Chemical ID: 4293086
Chemical ID:
4293086
Name [?]:
4-methyl-N-(3-pyridylmethyleneamino)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NN=Cc2cccnc2
InChi [?]:
InChI=1/C13H13N3O2S/c1-11-4-6-13(7-5-11)19(17,18)16-15-10-12-3-2-8-14-9-12/h2-10,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,3,7,4,6,17,19,13,2,14,5,18,12,11,9,10,8/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;w12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42448 |
Area: | 454.578 |
Solvation: | -2.93997 |
Coulombic: | -16.1039 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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