Chemical ID: 5647065

CC(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC(C)C
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

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Descriptor Annotations

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