ChemDB: Chemical Search
Download
Chemical ID: 7007661
Chemical ID:
7007661
Name [?]:
2,6-dichloro-N-[4-(2-methylphenoxy)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccccc1Oc2ccc(cc2)NS(=O)(=O)c3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2NO3S/c1-13-5-2-3-8-18(13)25-15-11-9-14(10-12-15)22-26(23,24)19-16(20)6-4-7-17(19)21/h2-12,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,22,3,21,23,6,11,13,10,14,2,12,9,20,24,7,19,26,25,15,17,18,8,16/E:(6,7)(9,10)(11,12)(16,17)(20,21)(23,24)/CRV:26.6/rA:26nCCCCCCCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;d16;s16;s19;d20;s21;d22;d19s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2NO3S |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7203 |
Area: | 553.307 |
Solvation: | -3.11241 |
Coulombic: | -21.7 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.54 |
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 |
---|