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Chemical ID: 5717138

COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c3ccc(cc3)Cl

Chemical ID:

5717138

Name [?]:

2-[(4-chlorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[[2-(trifluoromethyl)phenyl]methyleneamino]acetamide

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H19ClF3N3O4S/c1-34-19-10-12-20(13-11-19)35(32,33)30(18-8-6-17(24)7-9-18)15-22(31)29-28-14-16-4-2-3-5-21(16)23(25,26)27/h2-14H,15H2,1H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,21,22,20,23,31,33,30,34,4,8,5,7,18,13,19,32,29,3,6,24,14,25,35,26,27,28,17,16,12,15,10,11,2,9/E:(6,7)(8,9)(10,11)(12,13)(25,26,27)(32,33)/CRV:35.6/rA:35cCOCCCCCCSOONCCONNCCCCCCCCFFFCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;s12;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉ClF₃N₃O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3991
Area:	711.564
Solvation:	-7.38997
Coulombic:	-51.4562

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	525.929
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.48
LogP (Chemaxon):	5.23

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