Chemical ID: 6528880

Cc1ccc(cc1)S(=O)(=O)Nc2c(cc(c(c2C)NS(=O)(=O)c3ccc(cc3)C)C)C
Chemical ID:
6528880
Name [?]:
4-methyl-N-[2,4,6-trimethyl-3-(p-tolylsulfonylamino)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(cc(c(c2C)NS(=O)(=O)c3ccc(cc3)C)C)C
InChi [?]:
InChI=1/C23H26N2O4S2/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/h6-14,24-25H,1-5H3
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:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(15,16)(17,18)(20,21)(22,23)(24,25)(26,27,28,29)(30,31)/CRV:30.6,31.6/rA:31nCCCCCCCSOONCCCCCCCNSOOCCCCCCCCC/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:C23H26N2O4S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.7826
Area:579.914
Solvation:-2.71522
Coulombic:-25.947
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:458.596
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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