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Chemical ID: 7480436
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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