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Chemical ID: 7301825
Chemical ID:
7301825
Name [?]:
N-(2,4-dimethylphenyl)-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)NS(=O)(=O)c2cc(ccc2C)C
InChi [?]:
InChI=1/C16H19NO2S/c1-11-6-8-15(14(4)9-11)17-20(18,19)16-10-12(2)5-7-13(16)3/h5-10,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,19,8,16,3,17,4,7,14,2,15,18,6,5,13,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76564 |
Area: | 463.126 |
Solvation: | -1.8125 |
Coulombic: | -13.7496 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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