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Chemical ID: 6488896
Chemical ID:
6488896
Name [?]:
N,N'-bis(2-methoxyphenyl)butane-1,4-disulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)CCCCS(=O)(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C18H24N2O6S2/c1-25-17-11-5-3-9-15(17)19-27(21,22)13-7-8-14-28(23,24)20-16-10-4-6-12-18(16)26-2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,6,23,5,24,14,15,7,22,4,25,13,16,8,21,3,26,9,20,11,12,18,19,2,27,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)(25,26)(27,28)/CRV:27.6,28.6/rA:28nCOCCCCCCNSOOCCCCSOONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;s14;s15;s16;d17;d17;s17;s20;s21;d22;s23;d24;d21s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O6S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95487 |
Area: | 650.378 |
Solvation: | -6.30458 |
Coulombic: | -36.1472 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.525 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.73 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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