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Chemical ID: 4080777
Chemical ID:
4080777
Name [?]:
N-(3,5-dichlorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO2S/c1-9-3-2-4-13(5-9)19(17,18)16-12-7-10(14)6-11(15)8-12/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,7,15,13,17,2,14,16,12,6,19,18,11,9,10,8/E:(7,8)(10,11)(14,15)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1814 |
Area: | 478.043 |
Solvation: | -1.76972 |
Coulombic: | -13.9662 |
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: | 4.4 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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