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Chemical ID: 7317362
Chemical ID:
7317362
Name [?]:
2-chloro-N-(4-chloro-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1NS(=O)(=O)c2ccccc2Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO2S/c1-9-8-10(14)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,5,6,3,2,4,17,7,12,19,18,8,10,11,9/E:(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;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO2S |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54391 |
Area: | 460.254 |
Solvation: | -1.96244 |
Coulombic: | -14.0284 |
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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