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Chemical ID: 5730976

COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2c(cccc2Cl)F)c3ccc(cc3)Cl

Chemical ID:

5730976

Name [?]:

N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-2-[(4-chlorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-acetamide

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc2c(cccc2Cl)F)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H18Cl2FN3O4S/c1-32-17-9-11-18(12-10-17)33(30,31)28(16-7-5-15(23)6-8-16)14-22(29)27-26-13-19-20(24)3-2-4-21(19)25/h2-13H,14H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,22,23,21,29,31,28,32,4,8,5,7,18,13,30,27,3,6,19,24,20,14,33,25,26,17,16,12,15,10,11,2,9/E:(5,6)(7,8)(9,10)(11,12)(30,31)/CRV:33.6/rA:33cCOCCCCCCSOONCCONNCCCCCCCClFCCCCCCCl/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;s20;s12;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈Cl₂FN₃O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	9.86052
Area:	709.387
Solvation:	-7.87415
Coulombic:	-36.0758

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	510.366
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.34
LogP (Chemaxon):	5.0

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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