Chemical ID: 7299103

Cc1c(cccc1Cl)NS(=O)(=O)c2ccccc2Br
Chemical ID:
7299103
Name [?]:
2-bromo-N-(3-chloro-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1c(cccc1Cl)NS(=O)(=O)c2ccccc2Br
InChi [?]:
InChI=1/C13H11BrClNO2S/c1-9-11(15)6-4-7-12(9)16-19(17,18)13-8-3-2-5-10(13)14/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,5,17,6,4,14,2,18,7,3,13,19,8,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCClNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11BrClNO2S
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.44301
Area:452.539
Solvation:-1.87046
Coulombic:-13.9612
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.655
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):4.38

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