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Chemical ID: 6285673
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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Experimental Annotations
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Descriptor Annotations
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