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Chemical ID: 7259952
Chemical ID:
7259952
Name [?]:
4-bromo-3-methyl-N-(6-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1cccc(n1)NS(=O)(=O)c2ccc(c(c2)C)Br
InChi [?]:
InChI=1/C13H13BrN2O2S/c1-9-8-11(6-7-12(9)14)19(17,18)16-13-5-3-4-10(2)15-13/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:18,1,4,3,5,13,14,17,16,2,12,15,6,19,7,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCNNSOOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13BrN2O2S |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77211 |
Area: | 446.69 |
Solvation: | -2.39515 |
Coulombic: | -17.1042 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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