Chemical ID: 7219552

CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)C
Chemical ID:
7219552
Name [?]:
1-ethyl-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)C
InChi [?]:
InChI=1/C15H18N6O2S/c1-3-20-10-14(8-17-20)24(22,23)19-15-16-11-21(18-15)9-13-6-4-5-12(2)7-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,23,6,17,4,14,22,18,5,12,13,7,16,11,3,15,9,10,8/E:(22,23)/CRV:24.6/rA:24nCCNCCCNSOONCNCNNCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;d8;s8;s11;s12;d13;s14;d12s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N6O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1646
Area:551.489
Solvation:-3.62259
Coulombic:-28.1102
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.409
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):1.61

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Descriptor Annotations

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