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Chemical ID: 4745646
Chemical ID:
4745646
Name [?]:
N-(3,5-dichlorophenyl)-2,3,4,5,6-pentamethyl-benzenesulfonamide
SMILES [?]:
Cc1c(c(c(c(c1C)C)S(=O)(=O)Nc2cc(cc(c2)Cl)Cl)C)C
InChi [?]:
InChI=1/C17H19Cl2NO2S/c1-9-10(2)12(4)17(13(5)11(9)3)23(21,22)20-16-7-14(18)6-15(19)8-16/h6-8,20H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,23,9,22,17,15,19,2,7,3,6,4,16,18,14,5,21,20,13,11,12,10/E:(2,3)(4,5)(7,8)(10,11)(12,13)(14,15)(18,19)(21,22)/CRV:23.6/rA:23nCCCCCCCCCSOONCCCCCCClClCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19Cl2NO2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0138 |
Area: | 507.718 |
Solvation: | -1.67912 |
Coulombic: | -13.4715 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 372.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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