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Chemical ID: 7259953
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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