Chemical ID: 5605867

CCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCC
Chemical ID:
5605867
Name [?]:
N,N'-dibutylbenzene-1,2-disulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCC
InChi [?]:
InChI=1/C14H24N2O4S2/c1-3-5-11-15-21(17,18)13-9-7-8-10-14(13)22(19,20)16-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,20,11,12,10,13,4,19,9,14,5,18,7,8,16,17,6,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/CRV:21.6,22.6/rA:22nCCCCNSOOCCCCCCSOONCCCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;d15;d15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H24N2O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9323
Area:539.585
Solvation:-2.55735
Coulombic:-25.151
Bond Count [?]
All:22
Single:15
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.483
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.42
LogP (Chemaxon):2.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue