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Chemical ID: 6155675
Chemical ID:
6155675
Name [?]:
4-(benzenesulfonamido)-N-hexyl-benzenesulfonamide
SMILES [?]:
CCCCCCNS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C18H24N2O4S2/c1-2-3-4-8-15-19-25(21,22)18-13-11-16(12-14-18)20-26(23,24)17-9-6-5-7-10-17/h5-7,9-14,19-20H,2-4,8,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,24,23,25,5,22,26,13,15,12,16,6,14,21,11,7,17,9,10,19,20,8,18/E:(6,7)(9,10)(11,12)(13,14)(21,22)(23,24)/CRV:25.6,26.6/rA:26nCCCCCCNSOOCCCCCCNSOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.432 |
Area: | 619.392 |
Solvation: | -3.05285 |
Coulombic: | -26.3182 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.526 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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