Chemical ID: 3992302

Cc1ccc(c(c1)NS(=O)(=O)c2cccc(c2)N)Br
Chemical ID:
3992302
Name [?]:
3-amino-N-(2-bromo-5-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cccc(c2)N)Br
InChi [?]:
InChI=1/C13H13BrN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,3,4,7,17,2,16,12,5,6,19,18,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCNBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13BrN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.49723
Area:450.975
Solvation:-1.77714
Coulombic:-29.7838
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.225
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.13
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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