Chemical ID: 6814723

Cc1ccc(cc1)S(=O)(=O)Nc2c(cc(c(c2C)[N-]S(=O)(=O)c3ccc(cc3)C)C)C
Chemical ID:
6814723
Name [?]:
p-tolylsulfonyl-[2,4,6-trimethyl-3-(p-tolylsulfonylamino)phenyl]-azanide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(cc(c(c2C)[N-]S(=O)(=O)c3ccc(cc3)C)C)C
InChi [?]:
InChI=1/C23H25N2O4S2/c1-15-6-10-20(11-7-15)30(26,27)24-22-17(3)14-18(4)23(19(22)5)25-31(28,29)21-12-8-16(2)9-13-21/h6-14,24H,1-5H3/q-1
InChi Info:
AuxInfo=1/0/N:1,29,31,30,18,3,7,25,27,4,6,24,28,14,2,26,13,15,17,5,23,12,16,11,19,9,10,21,22,8,20/E:(6,7)(8,9)(10,11)(12,13)(26,27)(28,29)/CRV:25-1,30.6,31.6/rA:31nCCCCCCCSOONCCCCCCCN-SOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N2O4S2-
All Atoms:56
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:-18.5627
Area:634.536
Solvation:-34.4261
Coulombic:13.9983
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:457.588
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.8
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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