Chemical ID: 7219641

Cc1c(c(n[nH]1)C)S(=O)(=O)[N-]c2ncn(n2)Cc3c(cccc3Cl)Cl
Chemical ID:
7219641
Name [?]:
[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide
SMILES [?]:
Cc1c(c(n[nH]1)C)S(=O)(=O)[N-]c2ncn(n2)Cc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C14H13Cl2N6O2S/c1-8-13(9(2)19-18-8)25(23,24)21-14-17-7-22(20-14)6-10-11(15)4-3-5-12(10)16/h3-5,7H,6H2,1-2H3,(H-,18,19,20,21)/q-1
InChi Info:
AuxInfo=1/2/N:1,7,21,20,22,17,14,2,4,18,19,23,3,12,25,24,13,6,5,16,11,15,9,10,8/E:(1,2)(4,5)(8,9)(11,12)(15,16)(18,19)(23,24)/CRV:21-1,25.6/rA:25nCCCCNNCSOON-CNCNNCCCCCCCClCl/rB:s1;d2;s3;d4;s2s5;s4;s3;d8;d8;s8;s11;s12;d13;s14;d12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Cl2N6O2S-
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-22.1318
Area:564.425
Solvation:-36.2424
Coulombic:6.21722
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):2.08

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Descriptor Annotations

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