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Chemical ID: 5729056

CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2cccc(c2)C(F)(F)F)c3ccccc3

Chemical ID:

5729056

Name [?]:

2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]-N-[[3-(trifluoromethyl)phenyl]methyleneamino]acetamide

SMILES [?]:

CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2cccc(c2)C(F)(F)F)c3ccccc3

InChi [?]:

InChI=1/C24H22F3N3O4S/c1-2-34-21-11-13-22(14-12-21)35(32,33)30(20-9-4-3-5-10-20)17-23(31)29-28-16-18-7-6-8-19(15-18)24(25,26)27/h3-16H,2,17H2,1H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,2,33,32,34,22,21,23,31,35,5,9,6,8,25,19,14,20,24,30,4,7,15,26,27,28,29,18,17,13,16,11,12,3,10/E:(4,5)(9,10)(11,12)(13,14)(25,26,27)(32,33)/CRV:35.6/rA:35cCCOCCCCCCSOONCCONNCCCCCCCCFFFCCCCCC/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;s24;s26;s26;s26;s13;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂F₃N₃O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3235
Area:	713.64
Solvation:	-7.51755
Coulombic:	-51.8163

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	505.51
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.28
LogP (Chemaxon):	5.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value