Chemical ID: 6759271

Cc1ccc(cc1)[N-]S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C
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

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Descriptor Annotations

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