Chemical ID: 6560508

Cc1ccc(cc1)S(=O)(=O)N(C)Cc2ccc(cc2)C(=O)NN=Cc3ccccc3O
Chemical ID:
6560508
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-4-[(methyl-(p-tolylsulfonyl)amino)methyl]benzamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)Cc2ccc(cc2)C(=O)NN=Cc3ccccc3O
InChi [?]:
InChI=1/C23H23N3O4S/c1-17-7-13-21(14-8-17)31(29,30)26(2)16-18-9-11-19(12-10-18)23(28)25-24-15-20-5-3-4-6-22(20)27/h3-15,27H,16H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,12,27,28,26,29,3,7,15,19,16,18,4,6,24,13,2,14,17,25,5,30,20,23,22,11,31,21,9,10,8/E:(7,8)(9,10)(11,12)(13,14)(29,30)/CRV:31.6/rA:31cCCCCCCCSOONCCCCCCCCCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.2577
Area:662.884
Solvation:-5.31441
Coulombic:-44.7097
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:437.513
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.82
LogP (Chemaxon):4.33

Name Annotations

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Descriptor Annotations

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