Chemical ID: 6488896

COc1ccccc1NS(=O)(=O)CCCCS(=O)(=O)Nc2ccccc2OC
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

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Descriptor Annotations

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