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Chemical ID: 5416387
Chemical ID:
5416387
Name [?]:
N-(2,3-dichlorophenyl)-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2cccc(c2Cl)Cl)C
InChi [?]:
InChI=1/C14H13Cl2NO2S/c1-9-6-7-10(2)13(8-9)20(18,19)17-12-5-3-4-11(15)14(12)16/h3-8,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,15,13,3,4,7,2,5,16,12,6,17,19,18,11,9,10,8/E:(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13Cl2NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1368 |
Area: | 477.816 |
Solvation: | -1.80857 |
Coulombic: | -14.4297 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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