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Chemical ID: 6759271
Chemical ID:
6759271
Name [?]:
p-tolyl-(2,4,6-triisopropylphenyl)sulfonyl-azanide
SMILES [?]:
Cc1ccc(cc1)[N-]S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C
InChi [?]:
InChI=1/C22H30NO2S/c1-14(2)18-12-20(15(3)4)22(21(13-18)16(5)6)26(24,25)23-19-10-8-17(7)9-11-19/h8-16H,1-7H3/q-1
InChi Info:
AuxInfo=1/0/N:22,23,19,20,25,26,1,3,7,4,6,16,14,21,18,24,2,15,5,17,13,12,8,10,11,9/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13)(15,16)(20,21)(24,25)/CRV:23-1,26.6/rA:26nCCCCCCCN-SOOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s18;s15;s21;s21;s13;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30NO2S- |
All Atoms: | 56 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.0862 |
Area: | 583.157 |
Solvation: | -34.6651 |
Coulombic: | 24.2759 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.545 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.79 |
LogP (Chemaxon): | 6.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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