Chemical ID: 7480436

Cc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc3c(cccc3C)C
Chemical ID:
7480436
Name [?]:
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C23H23N3O3S2/c1-15-7-9-18(10-8-15)22(27)25-23(30)24-19-11-13-20(14-12-19)31(28,29)26-21-16(2)5-4-6-17(21)3/h4-14,26H,1-3H3,(H2,24,25,27,30)
InChi Info:
AuxInfo=1/1/N:1,30,31,27,28,26,3,7,4,6,15,19,16,18,2,29,25,5,14,17,24,8,11,13,10,23,9,21,22,12,20/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(28,29)/CRV:31.6/rA:31nCCCCCCCCONCSNCCCCCCSOONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O3S2
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.95
Area:649.691
Solvation:-3.29223
Coulombic:-47.0857
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.579
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:5.03
LogP (Chemaxon):5.53

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