Chemical ID: 7045920

Cc1ccc(c(c1)NS(=O)(=O)c2cc(c(nc2)Cl)Br)OC
Chemical ID:
7045920
Name [?]:
5-bromo-6-chloro-N-(2-methoxy-5-methyl-phenyl)-pyridine-3-sulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(c(nc2)Cl)Br)OC
InChi [?]:
InChI=1/C13H12BrClN2O3S/c1-8-3-4-12(20-2)11(5-8)17-21(18,19)9-6-10(14)13(15)16-7-9/h3-7,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,7,13,17,2,12,14,6,5,15,19,18,16,8,10,11,20,9/E:(18,19)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCNCClBrOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s14;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrClN2O3S
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.45005
Area:495.019
Solvation:-2.92541
Coulombic:-25.4668
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:391.669
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):3.19

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