Chemical ID: 7219751

CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(cc3)Cl
Chemical ID:
7219751
Name [?]:
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-pyrazole-4-sulfonamide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C14H15ClN6O2S/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,(H,18,19)
InChi Info:
AuxInfo=1/1/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:24.6/rA:24nCCNCCCNSOONCNCNNCCCCCCCCl/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:C14H15ClN6O2S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5092
Area:564.797
Solvation:-3.61074
Coulombic:-28.4733
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.827
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):1.66

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue