ChemDB: Chemical Search
Download
Chemical ID: 5426750
Chemical ID:
5426750
Name [?]:
4-chloro-N-[4-(trifluoromethoxy)phenyl]-benzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Cl)OC(F)(F)F
InChi [?]:
InChI=1/C13H9ClF3NO3S/c14-9-1-7-12(8-2-9)22(19,20)18-10-3-5-11(6-4-10)21-13(15,16)17/h1-8,18H
InChi Info:
AuxInfo=1/0/N:13,15,1,5,2,4,12,16,14,6,3,11,19,17,20,21,22,7,9,10,18,8/E:(1,2)(3,4)(5,6)(7,8)(15,16,17)(19,20)/CRV:22.6/rA:22nCCCCCCNSOOCCCCCCClOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s3;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClF3NO3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74416 |
Area: | 480.236 |
Solvation: | -2.26174 |
Coulombic: | -45.4442 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.78 |
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 |
---|