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Chemical ID: 7317349
Chemical ID:
7317349
Name [?]:
3,5-dichloro-N-(2,4,6-trimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)NS(=O)(=O)c2cc(cc(c2)Cl)Cl)C
InChi [?]:
InChI=1/C15H15Cl2NO2S/c1-9-4-10(2)15(11(3)5-9)18-21(19,20)14-7-12(16)6-13(17)8-14/h4-8,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,7,3,16,14,18,2,6,4,15,17,13,5,20,19,9,11,12,10/E:(2,3)(4,5)(7,8)(10,11)(12,13)(16,17)(19,20)/CRV:21.6/rA:21nCCCCCCCCNSOOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2NO2S |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7957 |
Area: | 499.475 |
Solvation: | -1.69113 |
Coulombic: | -13.2966 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 344.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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