Chemical ID: 4079572

CN(Cc1cccnc1)S(=O)(=O)c2cc(cc(c2)Cl)Cl
Chemical ID:
4079572
Name [?]:
3,5-dichloro-N-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
CN(Cc1cccnc1)S(=O)(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2O2S/c1-17(9-10-3-2-4-16-8-10)20(18,19)13-6-11(14)5-12(15)7-13/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,16,14,18,9,3,4,15,17,13,20,19,8,2,11,12,10/E:(6,7)(11,12)(14,15)(18,19)/CRV:20.6/rA:20cCNCCCCCNCSOOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.59154
Area:501.562
Solvation:-2.94752
Coulombic:-12.074
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.218
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.81
LogP (Chemaxon):2.67

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