Chemical ID: 7259953

Cc1cc(cc(c1)NS(=O)(=O)c2ccccc2Br)C
Chemical ID:
7259953
Name [?]:
2-bromo-N-(3,5-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1cc(cc(c1)NS(=O)(=O)c2ccccc2Br)C
InChi [?]:
InChI=1/C14H14BrNO2S/c1-10-7-11(2)9-12(8-10)16-19(17,18)14-6-4-3-5-13(14)15/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,13,3,7,5,2,4,6,17,12,18,8,10,11,9/E:(1,2)(8,9)(10,11)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14BrNO2S
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.51771
Area:448.864
Solvation:-1.70388
Coulombic:-13.8857
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

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