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Chemical ID: 5605867
Chemical ID:
5605867
Name [?]:
N,N'-dibutylbenzene-1,2-disulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCC
InChi [?]:
InChI=1/C14H24N2O4S2/c1-3-5-11-15-21(17,18)13-9-7-8-10-14(13)22(19,20)16-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,20,11,12,10,13,4,19,9,14,5,18,7,8,16,17,6,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/CRV:21.6,22.6/rA:22nCCCCNSOOCCCCCCSOONCCCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;d15;d15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9323 |
Area: | 539.585 |
Solvation: | -2.55735 |
Coulombic: | -25.151 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 348.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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