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Chemical ID: 4248132
Chemical ID:
4248132
Name [?]:
N-(4-chlorophenyl)-2,4,5-trimethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)Nc2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C15H16ClNO2S/c1-10-8-12(3)15(9-11(10)2)20(18,19)17-14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,15,17,14,18,3,6,2,7,4,16,13,5,19,12,10,11,9/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2297 |
Area: | 476.917 |
Solvation: | -1.69319 |
Coulombic: | -14.0897 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.812 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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