ChemDB: Chemical Search
Download
Chemical ID: 6460746
Chemical ID:
6460746
Name [?]:
2-methoxy-4-(1-piperidylsulfonyl)aniline
SMILES [?]:
COc1cc(ccc1N)S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C12H18N2O3S/c1-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,6,7,14,18,4,5,8,3,9,13,11,12,2,10/E:(3,4)(7,8)(15,16)/CRV:18.6/rA:18nCOCCCCCCNSOONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70328 |
Area: | 433.488 |
Solvation: | -3.13391 |
Coulombic: | -30.7329 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.57 |
LogP (Chemaxon): | 0.86 |
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 |
---|