Chemical ID: 6469561

Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C
Chemical ID:
6469561
Name [?]:
2,4,6-trimethyl-N-[4-(o-tolylsulfamoyl)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C
InChi [?]:
InChI=1/C22H24N2O4S2/c1-15-13-17(3)22(18(4)14-15)30(27,28)23-19-9-11-20(12-10-19)29(25,26)24-21-8-6-5-7-16(21)2/h5-14,23-24H,1-4H3
InChi Info:
AuxInfo=1/0/N:29,1,28,30,4,5,3,6,14,16,13,17,26,24,25,2,27,23,15,12,7,22,18,8,10,11,20,21,9,19/E:(3,4)(9,10)(11,12)(13,14)(17,18)(25,26)(27,28)/CRV:29.6,30.6/rA:30nCCCCCCCNSOOCCCCCCNSOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1588
Area:603.986
Solvation:-2.94085
Coulombic:-25.9091
Bond Count [?]
All:32
Single:19
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:444.569
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.52
LogP (Chemaxon):5.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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