ChemDB: Chemical Search
Download
Chemical ID: 7284548
Chemical ID:
7284548
Name [?]:
N-sec-butyl-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
CCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChi [?]:
InChI=1/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,12,11,13,10,3,14,9,15,16,17,18,5,7,8,6/E:(12,13,14)(16,17)/CRV:18.6/rA:18cCCCCNSOOCCCCCCCFFF/rB:s1;s2;s3;s3;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14F3NO2S |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7677 |
Area: | 390.591 |
Solvation: | -2.99708 |
Coulombic: | -30.2651 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.03 |
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 |
---|