ChemDB: Chemical Search
Download
Chemical ID: 6178476
Chemical ID:
6178476
Name [?]:
4-chloro-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(c(cc1S(=O)(=O)NCC2CCCO2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C11H13ClN2O5S/c12-10-4-3-9(6-11(10)14(15)16)20(17,18)13-7-8-2-1-5-19-8/h3-4,6,8,13H,1-2,5,7H2
InChi Info:
AuxInfo=1/0/N:14,13,1,2,15,5,11,12,6,3,4,20,10,17,18,19,8,9,16,7/E:(15,16)(17,18)/CRV:14.5,20.6/rA:20cCCCCCCSOONCCCCCON+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s12s15;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2O5S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.02609 |
Area: | 490.442 |
Solvation: | -9.23495 |
Coulombic: | -28.5561 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.75 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.63 |
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 |
---|