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Chemical ID: 7074230

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3c(cccc3Cl)F

Chemical ID:

7074230

Name [?]:

3-[2-[(2-chloro-6-fluoro-phenyl)methyleneaminoamino]thiazol-4-yl]-N,N-diethyl-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3c(cccc3Cl)F

InChi [?]:

InChI=1/C20H20ClFN4O2S2/c1-3-26(4-2)30(27,28)15-8-5-7-14(11-15)19-13-29-20(24-19)25-23-12-16-17(21)9-6-10-18(16)22/h5-13H,3-4H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,11,26,12,10,27,25,14,22,16,13,9,23,28,24,15,18,29,30,21,19,20,3,7,8,17,6/E:(1,2)(3,4)(27,28)/CRV:30.6/rA:30nCCNCCSOOCCCCCCCCSCNNNCCCCCCCClF/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀ClFN₄O₂S₂
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2733
Area:	676.578
Solvation:	-4.64119
Coulombic:	-27.7331

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	466.982
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.89
LogP (Chemaxon):	5.62

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