Chemical ID: 4293086

Cc1ccc(cc1)S(=O)(=O)NN=Cc2cccnc2
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

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Descriptor Annotations

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