Chemical ID: 7219668

Cc1cccc(c1)Cn2cnc(n2)NS(=O)(=O)c3cnn(c3)C
Chemical ID:
7219668
Name [?]:
1-methyl-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
Cc1cccc(c1)Cn2cnc(n2)NS(=O)(=O)c3cnn(c3)C
InChi [?]:
InChI=1/C14H16N6O2S/c1-11-4-3-5-12(6-11)8-20-10-15-14(17-20)18-23(21,22)13-7-16-19(2)9-13/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,23,4,3,5,7,19,8,22,10,2,6,18,12,11,20,13,14,21,9,16,17,15/E:(21,22)/CRV:23.6/rA:23nCCCCCCCCNCNCNNSOOCCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s12;s14;d15;d15;s15;s18;d19;s20;d18s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N6O2S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.44514
Area:527.78
Solvation:-3.74937
Coulombic:-27.6948
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.382
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.56
LogP (Chemaxon):1.27

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Descriptor Annotations

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