ChemDB: Chemical Search
Download
Chemical ID: 6530342
Chemical ID:
6530342
Name [?]:
4-chloro-N-(m-tolyl)-N-propyl-benzenesulfonamide
SMILES [?]:
CCCN(c1cccc(c1)C)S(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H18ClNO2S/c1-3-11-18(15-6-4-5-13(2)12-15)21(19,20)16-9-7-14(17)8-10-16/h4-10,12H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,8,6,17,19,16,20,3,10,9,18,5,15,21,4,13,14,12/E:(7,8)(9,10)(19,20)/CRV:21.6/rA:21cCCCNCCCCCCCSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s4;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6377 |
Area: | 504.732 |
Solvation: | -1.98057 |
Coulombic: | -10.0582 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.838 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.65 |
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 |
---|