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Chemical ID: 6507137
Chemical ID:
6507137
Name [?]:
N-[4-chloro-2-(hydroxyimino-phenyl-methyl)-phenyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=NO)c3ccccc3)Cl
InChi [?]:
InChI=1/C20H17ClN2O3S/c1-14-7-10-17(11-8-14)27(25,26)23-19-12-9-16(21)13-18(19)20(22-24)15-5-3-2-4-6-15/h2-13,23-24H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,22,26,3,7,14,4,6,13,16,2,21,15,5,17,12,18,27,19,11,20,9,10,8/E:(3,4)(5,6)(7,8)(10,11)(25,26)/CRV:27.6/rA:27nCCCCCCCSOONCCCCCCCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;s18;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7897 |
Area: | 581.139 |
Solvation: | -2.73876 |
Coulombic: | -28.7763 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.879 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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