ChemDB: Chemical Search
Download
Chemical ID: 4297703
Chemical ID:
4297703
Name [?]:
4-phenylsulfonyl-N-propyl-aniline
SMILES [?]:
CCCNc1ccc(cc1)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C15H17NO2S/c1-2-12-16-13-8-10-15(11-9-13)19(17,18)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,19,6,10,7,9,3,5,14,8,4,12,13,11/E:(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:19.6/rA:19nCCCNCCCCCCSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91532 |
Area: | 475.404 |
Solvation: | -1.96979 |
Coulombic: | -18.6037 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.26 |
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 |
---|