ChemDB: Chemical Search
Download
Chemical ID: 4066186
Chemical ID:
4066186
Name [?]:
N-(2-ethoxyethyl)-2-nitro-benzenesulfonamide
SMILES [?]:
CCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O5S/c1-2-17-8-7-11-18(15,16)10-6-4-3-5-9(10)12(13)14/h3-6,11H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,5,4,15,10,6,16,17,18,8,9,3,7/E:(13,14)(15,16)/CRV:12.5,18.6/rA:18nCCOCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O5S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.51171 |
Area: | 439.089 |
Solvation: | -9.4655 |
Coulombic: | -28.312 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 274.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.87 |
LogP (Chemaxon): | 1.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|