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Chemical ID: 5647065
Chemical ID:
5647065
Name [?]:
N,N'-diisopentylbenzene-1,2-disulfonamide
SMILES [?]:
CC(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC(C)C
InChi [?]:
InChI=1/C16H28N2O4S2/c1-13(2)9-11-17-23(19,20)15-7-5-6-8-16(15)24(21,22)18-12-10-14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,23,24,12,13,11,14,4,21,5,20,2,22,10,15,6,19,8,9,17,18,7,16/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)/CRV:23.6,24.6/rA:24nCCCCCNSOOCCCCCCSOONCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;d16;s16;s19;s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8491 |
Area: | 575.517 |
Solvation: | -2.53878 |
Coulombic: | -25.6797 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.537 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.44 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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