Chemical ID: 5740187

CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2cc(ccc2Cl)N(=O)=O)c3ccccc3
Chemical ID:
5740187
Name [?]:
N-[(2-chloro-5-nitro-phenyl)methyleneamino]-2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]-acetamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2cc(ccc2Cl)N(=O)=O)c3ccccc3
InChi [?]:
InChI=1/C23H21ClN4O6S/c1-2-34-20-9-11-21(12-10-20)35(32,33)27(18-6-4-3-5-7-18)16-23(29)26-25-15-17-14-19(28(30)31)8-13-22(17)24/h3-15H,2,16H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,33,32,34,31,35,23,5,9,6,8,24,21,19,14,20,30,22,4,7,25,15,26,18,17,13,27,16,28,29,11,12,3,10/E:(4,5)(6,7)(9,10)(11,12)(30,31)(32,33)/CRV:28.5,35.6/rA:35cCCOCCCCCCSOONCCONNCCCCCCCClNOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s22;d27;d27;s13;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN4O6S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:5.53682
Area:721.731
Solvation:-12.5064
Coulombic:-42.8781
Bond Count [?]
All:37
Single:22
Double:15
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:516.955
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:5.87
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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