Chemical ID: 6404168

COc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccccc3
Chemical ID:
6404168
Name [?]:
4-(4-methoxyphenyl)sulfonylamino-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-15(8-10-17)20(23)21-16-5-3-2-4-6-16/h2-14,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,15,17,14,18,4,8,5,7,16,22,13,3,6,19,21,12,20,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:27.6/rA:27nCOCCCCCCSOONCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1447
Area:583.981
Solvation:-4.45478
Coulombic:-41.5969
Bond Count [?]
All:29
Single:17
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.6
LogP (Chemaxon):3.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue