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Chemical ID: 4486689
Chemical ID:
4486689
Name [?]:
N-(2-bromo-4,5-dimethyl-phenyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)Br)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H14BrNO2S/c1-10-8-13(15)14(9-11(10)2)16-19(17,18)12-6-4-3-5-7-12/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:8,1,17,16,18,15,19,6,3,7,2,14,5,4,9,10,12,13,11/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCBrNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14BrNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75328 |
Area: | 451.687 |
Solvation: | -1.53888 |
Coulombic: | -14.2977 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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