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Chemical ID: 6285673

CN(C)S(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)COc3ccc(cc3)Cl

Chemical ID:

6285673

Name [?]:

2-(4-chlorophenoxy)-N-[6-(dimethylsulfamoyl)benzothiazol-2-yl]-acetamide

SMILES [?]:

CN(C)S(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C17H16ClN3O4S2/c1-21(2)27(23,24)13-7-8-14-15(9-13)26-17(19-14)20-16(22)10-25-12-5-3-11(18)4-6-12/h3-9H,10H2,1-2H3,(H,19,20,22)

InChi Info:

AuxInfo=1/1/N:1,3,23,25,22,26,8,9,12,19,24,21,7,10,11,17,14,27,15,16,2,18,5,6,20,13,4/E:(1,2)(3,4)(5,6)(23,24)/CRV:27.6/rA:27nCNCSOOCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s11;s13;s10d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClN₃O₄S₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.75177
Area:	633.708
Solvation:	-6.09094
Coulombic:	-39.408

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	425.911
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.29
LogP (Chemaxon):	3.56

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

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

Chemical Mix	Source	External ID	Descriptor	Value