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Chemical ID: 4196611
Chemical ID:
4196611
Name [?]:
2,4-dimethyl-N-(2,4,6-trimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2c(cc(cc2C)C)C
InChi [?]:
InChI=1/C17H21NO2S/c1-11-6-7-16(13(3)8-11)21(19,20)18-17-14(4)9-12(2)10-15(17)5/h6-10,18H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,8,19,21,3,4,7,17,15,2,16,6,18,14,5,13,12,10,11,9/E:(4,5)(9,10)(14,15)(19,20)/CRV:21.6/rA:21nCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95092 |
Area: | 462.492 |
Solvation: | -1.61137 |
Coulombic: | -13.8566 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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