ChemDB: Chemical Search
Download
Chemical ID: 6537455
Chemical ID:
6537455
Name [?]:
3-chloro-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C14H14ClNO3S/c1-10-3-8-13(9-14(10)15)20(17,18)16-11-4-6-12(19-2)7-5-11/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,14,18,15,17,4,6,2,13,16,5,7,8,12,10,11,19,9/E:(4,5)(6,7)(17,18)/CRV:20.6/rA:20nCCCCCCCClSOONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80613 |
Area: | 478.388 |
Solvation: | -3.15357 |
Coulombic: | -20.1147 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.785 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.34 |
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 |
---|