ChemDB: Chemical Search
Download
Chemical ID: 7520868
Chemical ID:
7520868
Name [?]:
4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[(2-methoxyphenyl)methyl]benzamide
SMILES [?]:
CN(c1ccc(cc1)C(=O)NCc2ccccc2OC)S(=O)(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H21ClN2O4S/c1-25(30(27,28)20-13-9-18(23)10-14-20)19-11-7-16(8-12-19)22(26)24-15-17-5-3-4-6-21(17)29-2/h3-14H,15H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,20,15,16,14,17,5,7,26,28,4,8,25,29,12,6,13,27,3,24,18,9,30,11,2,10,22,23,19,21/E:(7,8)(9,10)(11,12)(13,14)(27,28)/CRV:30.6/rA:30cCNCCCCCCCONCCCCCCCOCSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s2;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21ClN2O4S |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0499 |
Area: | 666.909 |
Solvation: | -4.62286 |
Coulombic: | -38.3992 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.93 |
LogP (Chemaxon): | None |
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 |
---|