ChemDB: Chemical Search
Download
Chemical ID: 4079564
Chemical ID:
4079564
Name [?]:
2-fluoro-N-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
CN(Cc1cccnc1)S(=O)(=O)c2ccccc2F
InChi [?]:
InChI=1/C13H13FN2O2S/c1-16(10-11-5-4-8-15-9-11)19(17,18)13-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,6,5,17,14,7,9,3,4,18,13,19,8,2,11,12,10/E:(17,18)/CRV:19.6/rA:19cCNCCCCCNCSOOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13FN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.1722 |
Area: | 430.734 |
Solvation: | -3.59615 |
Coulombic: | -15.9654 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.319 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.78 |
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 |
---|