Chemical ID: 7131916

Cc1ccc(cc1)S(=O)(=O)[N-]c2cc(c(cc2C)[N-]S(=O)(=O)c3ccccc3)C
Chemical ID:
7131916
Name [?]:
(2,5-dimethyl-4-phenylsulfonylazanidyl-phenyl)-(p-tolylsulfonyl)azanide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)[N-]c2cc(c(cc2C)[N-]S(=O)(=O)c3ccccc3)C
InChi [?]:
InChI=1/C21H20N2O4S2/c1-15-9-11-19(12-10-15)29(26,27)23-21-14-16(2)20(13-17(21)3)22-28(24,25)18-7-5-4-6-8-18/h4-14H,1-3H3/q-2
InChi Info:
AuxInfo=1/0/N:1,29,18,26,25,27,24,28,3,7,4,6,16,13,2,14,17,23,5,15,12,19,11,21,22,9,10,20,8/E:(5,6)(7,8)(9,10)(11,12)(24,25)(26,27)/CRV:22-1,23-1,28.6,29.6/rA:29nCCCCCCCSOON-CCCCCCCN-SOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4S2-2
All Atoms:49
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-82.9117
Area:640.007
Solvation:-98.9119
Coulombic:85.9197
Bond Count [?]
All:31
Single:18
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:428.527
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.98
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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