Chemical ID: 7529627

c1cc(ccc1CS(=O)(=O)N(CC#N)CC#N)Cl
Chemical ID:
7529627
Name [?]:
1-(4-chlorophenyl)-N,N-bis(cyanomethyl)methanesulfonamide
SMILES [?]:
c1cc(ccc1CS(=O)(=O)N(CC#N)CC#N)Cl
InChi [?]:
InChI=1/C11H10ClN3O2S/c12-11-3-1-10(2-4-11)9-18(16,17)15(7-5-13)8-6-14/h1-4H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,16,12,15,7,6,3,18,14,17,11,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(13,14)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCNCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;s12;t13;s11;s15;t16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClN3O2S
All Atoms:28
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.65334
Area:474.996
Solvation:-4.22155
Coulombic:-11.486
Bond Count [?]
All:18
Single:11
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.71
LogP (Chemaxon):None

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