Chemical ID: 4079581

Cc1ccc(cc1Cl)S(=O)(=O)N(C)Cc2cccnc2
Chemical ID:
4079581
Name [?]:
3-chloro-N,4-dimethyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)S(=O)(=O)N(C)Cc2cccnc2
InChi [?]:
InChI=1/C14H15ClN2O2S/c1-11-5-6-13(8-14(11)15)20(18,19)17(2)10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,3,4,18,6,20,14,2,15,5,7,8,19,12,10,11,9/E:(18,19)/CRV:20.6/rA:20cCCCCCCCClSOONCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.31874
Area:482.46
Solvation:-2.74277
Coulombic:-12.6553
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.8
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.42
LogP (Chemaxon):2.62

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