Chemical ID: 4209093

Cc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3)C
Chemical ID:
4209093
Name [?]:
4-(benzenesulfonamido)-N-(2,5-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3)C
InChi [?]:
InChI=1/C20H20N2O4S2/c1-15-8-9-16(2)20(14-15)22-28(25,26)19-12-10-17(11-13-19)21-27(23,24)18-6-4-3-5-7-18/h3-14,21-22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,26,23,27,3,4,14,16,13,17,7,2,5,15,22,12,6,18,8,20,21,10,11,19,9/E:(4,5)(6,7)(10,11)(12,13)(23,24)(25,26)/CRV:27.6,28.6/rA:28nCCCCCCCNSOOCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.215
Area:568.107
Solvation:-2.98769
Coulombic:-26.0879
Bond Count [?]
All:30
Single:17
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.516
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.07
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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