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Chemical ID: 5605858
Chemical ID:
5605858
Name [?]:
N,N'-dipentylbenzene-1,2-disulfonamide
SMILES [?]:
CCCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCC
InChi [?]:
InChI=1/C16H28N2O4S2/c1-3-5-9-13-17-23(19,20)15-11-7-8-12-16(15)24(21,22)18-14-10-6-4-2/h7-8,11-12,17-18H,3-6,9-10,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,12,13,4,21,11,14,5,20,10,15,6,19,8,9,17,18,7,16/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;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;d16;s16;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2401 |
Area: | 591.255 |
Solvation: | -2.54126 |
Coulombic: | -25.7582 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 376.537 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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