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Chemical ID: 4293976
Chemical ID:
4293976
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)benzenesulfonamide
SMILES [?]:
Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)Br
InChi [?]:
InChI=1/C14H14BrNO2S/c1-10-8-12(15)9-11(2)14(10)16-19(17,18)13-6-4-3-5-7-13/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,17,3,5,2,6,4,12,7,19,8,10,11,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14BrNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42731 |
Area: | 439.093 |
Solvation: | -1.55001 |
Coulombic: | -14.1081 |
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: | 3.96 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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