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Chemical ID: 5045024
Chemical ID:
5045024
Name [?]:
N-[(2-chlorophenyl)methyleneamino]-2-(phenethyl-(p-tolylsulfonyl)amino)-acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccccc3Cl
InChi [?]:
InChI=1/C24H24ClN3O3S/c1-19-11-13-22(14-12-19)32(30,31)28(16-15-20-7-3-2-4-8-20)18-24(29)27-26-17-21-9-5-6-10-23(21)25/h2-14,17H,15-16,18H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,28,29,15,19,27,30,3,7,4,6,13,12,25,20,2,14,26,5,31,21,32,24,23,11,22,9,10,8/E:(3,4)(7,8)(11,12)(13,14)(30,31)/CRV:32.6/rA:32cCCCCCCCSOONCCCCCCCCCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClN3O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0586 |
Area: | 703.161 |
Solvation: | -4.52047 |
Coulombic: | -29.4843 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 469.984 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.78 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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