Chemical ID: 4486689

Cc1cc(c(cc1C)Br)NS(=O)(=O)c2ccccc2
Chemical ID:
4486689
Name [?]:
N-(2-bromo-4,5-dimethyl-phenyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)Br)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H14BrNO2S/c1-10-8-13(15)14(9-11(10)2)16-19(17,18)12-6-4-3-5-7-12/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:8,1,17,16,18,15,19,6,3,7,2,14,5,4,9,10,12,13,11/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCBrNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14BrNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.75328
Area:451.687
Solvation:-1.53888
Coulombic:-14.2977
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.237
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.33

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