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Chemical ID: 7293204
Chemical ID:
7293204
Name [?]:
N-(cyclohexylmethyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-sulfonamide
SMILES [?]:
c1cc2c(cc1S(=O)(=O)NCC3CCCCC3)OCCO2
InChi [?]:
InChI=1/C15H21NO4S/c17-21(18,16-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h6-7,10,12,16H,1-5,8-9,11H2
InChi Info:
AuxInfo=1/0/N:15,14,16,13,17,1,2,20,19,5,11,12,6,3,4,10,8,9,21,18,7/E:(2,3)(4,5)(17,18)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s15;s12s16;s4;s18;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO4S |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96896 |
Area: | 493.199 |
Solvation: | -3.361 |
Coulombic: | -28.667 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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