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Chemical ID: 6606474
Chemical ID:
6606474
Name [?]:
N-isopentyl-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-sulfonamide
SMILES [?]:
CC(C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2
InChi [?]:
InChI=1/C13H19NO4S/c1-10(2)5-6-14-19(15,16)11-3-4-12-13(9-11)18-8-7-17-12/h3-4,9-10,14H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,4,5,18,17,15,2,10,13,14,6,8,9,19,16,7/E:(1,2)(15,16)/CRV:19.6/rA:19nCCCCCNSOOCCCCCCOCCO/rB:s1;s2;s2;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46881 |
Area: | 473.154 |
Solvation: | -3.36004 |
Coulombic: | -28.4231 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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