ChemDB: Chemical Search
Download
Chemical ID: 4041237
Chemical ID:
4041237
Name [?]:
4-chloro-N-(4-methoxyphenyl)-N-methyl-benzenesulfonamide
SMILES [?]:
CN(c1ccc(cc1)OC)S(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H14ClNO3S/c1-16(12-5-7-13(19-2)8-6-12)20(17,18)14-9-3-11(15)4-10-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,18,4,8,5,7,15,19,17,3,6,14,20,2,12,13,9,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:20.6/rA:20cCNCCCCCCOCSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5773 |
Area: | 480.023 |
Solvation: | -3.42329 |
Coulombic: | -15.5054 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.785 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.12 |
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 |
---|