Chemical ID: 7219752

CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3ccc(cc3)Cl
Chemical ID:
7219752
Name [?]:
[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-(1-ethylpyrazol-4-yl)sulfonyl-azanide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C14H14ClN6O2S/c1-2-20-9-13(7-17-20)24(22,23)19-14-16-10-21(18-14)8-11-3-5-12(15)6-4-11/h3-7,9-10H,2,8H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,2,19,23,20,22,6,17,4,14,18,21,5,12,24,13,7,16,11,3,15,9,10,8/E:(3,4)(5,6)(22,23)/CRV:19-1,24.6/rA:24nCCNCCCNSOON-CNCNNCCCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;d8;s8;s11;s12;d13;s14;d12s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14ClN6O2S-
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-22.1242
Area:573.815
Solvation:-36.4696
Coulombic:11.297
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.819
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.01
LogP (Chemaxon):1.66

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