ChemDB: Chemical Search
Download
Chemical ID: 3991699
Chemical ID:
3991699
Name [?]:
3-amino-N-(4-chlorophenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1N)S(=O)(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-9-2-7-12(8-13(9)15)19(17,18)16-11-5-3-10(14)4-6-11/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,17,14,18,4,6,2,16,13,5,7,19,8,12,10,11,9/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55368 |
Area: | 460.576 |
Solvation: | -1.96072 |
Coulombic: | -29.619 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.773 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.81 |
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 |
---|