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Chemical ID: 7007334
Chemical ID:
7007334
Name [?]:
2,6-dichloro-N-(o-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO2S/c1-9-5-2-3-8-12(9)16-19(17,18)13-10(14)6-4-7-11(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,15,3,14,16,6,2,13,17,7,12,19,18,8,10,11,9/E:(6,7)(10,11)(14,15)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO2S |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49789 |
Area: | 426.884 |
Solvation: | -2.17421 |
Coulombic: | -13.542 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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